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Compound 143
  CheckMol                        TMF02:r0:m0
MF=C23H28ClN3O5S MW=494.00
 33 35  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3234   -2.2215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2762   -2.2215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3353   -3.7103   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2644   -3.7103   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4430   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6469   -4.4430   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591   -5.9318   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -5.9318   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9585   -3.6867   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707   -6.6644   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2701   -4.4193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5817   -3.6631   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8933   -4.3957   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2050   -3.6276   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.9052   -5.8846   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5166   -4.3602   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2168   -6.6172   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5284   -5.8491   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.8400   -6.5817   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5963   -7.8697   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1074   -7.8697   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1516   -5.8255   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4632   -6.5581   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4751   -8.0470   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7749   -5.8018   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0865   -6.5463   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3981   -5.7900   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0983   -8.0351   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7097   -6.5345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4099   -8.7796   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7215   -8.0233   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16 02  0  1  0  0
 15 17 01  0  1  0  0
 16 18 01  0  1  0  0
 17 19 02  0  1  0  0
 18 20 02  0  1  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  1  0  0
 28 30  1  0  1  0  0
 29 31  1  0  1  0  0
 30 32  1  0  1  0  0
 31 33  1  0  1  0  0
  6  7 01  0  1  0  0
 19 20 01  0  1  0  0
 32 33  1  0  1  0  0
M  END

Glibenclamide

₹ 0.00 0.00

Chemical Name - Glibenclamide
Mol Weight - 494.01
Smiles - COc(ccc(Cl)c1)c1C(NCCc(cc1)ccc1S(NC(NC1CCCCC1)=O)(=O)=O)=O

Property Name	Property Value
Mol Name	Glibenclamide
Molweight	494.01
Monoisotopic Mass	493.143819
Clogp	3.9494
Clogs	-5.398
H Acceptors	8
H Donors	3
Total Surface Area	364.48
Relative Psa	0.27173
Polar Surface Area	121.98
Druglikeness	4.5284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.60606
Molecular Flexibility	0.53671
Molecular Complexity	0.78531
Fragments	1
Non H Atoms	33
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	11
Symmetric Atoms	5
Amides	3
Smiles	COc(ccc(Cl)c1)c1C(NCCc(cc1)ccc1S(NC(NC1CCCCC1)=O)(=O)=O)=O
InChIKey	InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
InChI	ZNNLBTZKUZBEKO-UHFFFAOYSA-N

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Glibenclamide