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Compound 96
  CheckMol                        TMF02:r0:m0
MF=C22H26N2O2 MW=350.46
 26 30  0 22  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4860   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737   -2.2290   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209   -2.2290   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592   -1.4742   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327   -3.7149   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6299   -1.4624   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   -2.2172   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -4.7056   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6417   -4.4461   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9390   -2.2054   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609   -6.0619   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2383   -4.5405   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3469   -5.8967   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9508   -3.6796   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3542   -1.5803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334   -0.6958   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118   -7.2648   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1110   -5.7434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6442   -6.7341   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1655   -4.6348   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6044   -2.4059   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3778   -0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -7.0997   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0240   -6.1090   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5100   -3.8801   -0.0000 C   0  0  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
  3  5  1  0  0  0  0
  4  6  1  0  4  0  0
  4  7  2  0  4  0  0
  5  8  1  0  0  0  0
  6  9 01  0  3  0  0
  6 10 01  0  3  0  0
  7 11  1  0  4  0  0
  9 12 02  0  4  0  0
  9 13 01  0  1  0  0
 10 14 02  0  3  0  0
 10 15  1  0  2  0  0
 11 16  1  0  3  0  0
 11 17  1  6  0  0  0
 12 18 01  0  1  0  0
 13 19 02  0  1  0  0
 14 20  1  0  4  0  0
 15 21  1  1  3  0  0
 16 22  1  0  3  0  0
 17 23  1  0  0  0  0
 18 24 02  0  1  0  0
 20 25  1  0  4  0  0
 21 26  1  0  3  0  0
 11 15  1  0  3  0  0
 12 14 01  0  3  0  0
 19 24 01  0  1  0  0
 21 25  1  0  4  0  0
 22 26  1  0  3  0  0
M  END

Vinpocetine

₹ 0.00 0.00

Chemical Name - Vinpocetine
Mol Weight - 350.46
Smiles - CC[C@]1(CCC2)C=C(C(OCC)=O)n3c(cccc4)c4c4c3[C@H]1N2CC4

Property Name	Property Value
Mol Name	Vinpocetine
Molweight	350.46
Monoisotopic Mass	350.199428
Clogp	4.1342
Clogs	-3.701
H Acceptors	4
Total Surface Area	263.07
Relative Psa	0.12719
Polar Surface Area	34.47
Druglikeness	-0.26904
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.38462
Molecular Flexibility	0.26775
Molecular Complexity	1.0223
Fragments	1
Non H Atoms	26
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	2
Rotatable Bonds	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	13
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	CC[C@]1(CCC2)C=C(C(OCC)=O)n3c(cccc4)c4c4c3[C@H]1N2CC4
InChIKey	InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22-/m0/s1
InChI	DDNCQMVWWZOMLN-UNMCSNQZSA-N

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Vinpocetine