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Compound 76
  CheckMol                        TMF02:r0:m0
MF=C15H23N3O4S MW=341.42
 23 24  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -1.2931   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474    1.3169   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169    0.7711   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -0.7474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5863    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2813   -2.2422   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8794   -0.7355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5744   -2.9778   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8675   -2.2304   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1725    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607   -2.9778   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607    1.5423   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4657   -0.7118   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538   -2.2185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7588    0.0475   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519   -0.6881   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4163   -0.0593   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1943   -2.1710   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4128   -1.1626   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7128    1.4236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6535   -2.4676   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    2.4439   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  1  0  0
 17 19  1  0  1  0  0
 18 20  1  0  1  0  0
 18 21  1  0  0  0  0
 19 22  1  0  1  0  0
 21 23  1  0  0  0  0
  9 10 01  0  1  0  0
 20 22  1  0  1  0  0
M  END

Levosulpiride

₹ 0.00 0.00

Chemical Name - Levosulpiride
Mol Weight - 341.431
Smiles - CCN1C(CNC(c(cc(cc2)S(N)(=O)=O)c2OC)=O)CCC1

Property Name	Property Value
Mol Name	Levosulpiride
Molweight	341.431
Monoisotopic Mass	341.140927
Clogp	0.6079
Clogs	-2.025
H Acceptors	7
H Donors	2
Total Surface Area	252.19
Relative Psa	0.32476
Polar Surface Area	110.11
Druglikeness	8.2661
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.52174
Molecular Flexibility	0.54867
Molecular Complexity	0.78472
Fragments	1
Non H Atoms	23
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	1
Rotatable Bonds	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	11
Symmetric Atoms	1
Amides	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCN1C(CNC(c(cc(cc2)S(N)(=O)=O)c2OC)=O)CCC1
InChIKey	InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
InChI	BGRJTUBHPOOWDU-UHFFFAOYSA-N

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Levosulpiride