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Compound 138
  CheckMol                        TMF02:r0:m0
MF=C24H29N5O3 MW=435.52
 32 34  0  3  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    0.7532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181    2.2597   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6127    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9191    0.7885   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245   -1.4594   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2254    0.0588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9309    2.2950   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -2.2008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9309   -2.1890   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2372   -1.4241   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5318    0.8238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2372    3.0599   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8382    0.0942   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2490    4.5664   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5436    2.3303   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8499   -1.3887   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5553    5.3314   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8499    3.0953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1563   -2.1184   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8617    4.6017   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1681    5.3667   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4744    4.6370   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1798    6.8731   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4862    3.1541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7808    5.4020   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4862    7.6381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2858    2.2832   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7102    2.2832   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7926    6.9084   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.7565    0.8709   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -11.2630    0.8709   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15 02  0  1  0  0
 13 16 01  0  1  0  0
 14 17  1  0  0  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 17 20  1  0  0  0  0
 18 21 02  0  1  0  0
 21 22  1  0  0  0  0
 22 23 02  0  1  0  0
 22 24 01  0  1  0  0
 23 25  1  0  0  0  0
 23 26 01  0  1  0  0
 24 27 02  0  1  0  0
 25 28 01  0  1  0  0
 25 29 02  0  1  0  0
 26 30 02  0  1  0  0
 28 31 02  0  1  0  0
 29 32 01  0  1  0  0
 19 21 01  0  1  0  0
 27 30 01  0  1  0  0
 31 32 01  0  1  0  0
M  END

Valsartan

₹ 0.00 0.00

Chemical Name - Valsartan
Mol Weight - 435.526
Smiles - CCCCC(N(Cc(cc1)ccc1-c(cccc1)c1-c1n[nH]nn1)[C@@H](C(C)C)C(O)=O)=O

Property Name	Property Value
Mol Name	Valsartan
Molweight	435.526
Monoisotopic Mass	435.22704
Clogp	3.79
Clogs	-6.173
H Acceptors	8
H Donors	2
Total Surface Area	347.6
Relative Psa	0.25785
Polar Surface Area	112.07
Druglikeness	-7.2551
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.55605
Molecular Complexity	0.84632
Fragments	1
Non H Atoms	32
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	1
Rotatable Bonds	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3 Atoms	10
Symmetric Atoms	3
Amides	1
Aromatic Nitrogens	4
Acidic Oxygens	1
Smiles	CCCCC(N(Cc(cc1)ccc1-c(cccc1)c1-c1n[nH]nn1)[C@@H](C(C)C)C(O)=O)=O
InChIKey	InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
InChI	ACWBQPMHZXGDFX-QFIPXVFZSA-N

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Valsartan