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CHEMBLOCK-ZINC02894921

 MMsINC code: MMs00534365
Type: Neutral
Formula: C24H22N2S
SMILES:   s1c2cc(ccc2nc1-c1ccc(\N=C\c2c(cc(cc2C)C)C)cc1)C
InChI:   InChI=1/C24H22N2S/c1-15-5-10-22-23(13-15)27-24(26-22)19-6-8-20(9-7-19)25-14-21-17(3)11-16(2)12-18(21)4/h5-14H,1-4H3/b25-14+

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Potential Energy
Epot(MMFF94)=104.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.52 g/mol  logS: -8.57607  SlogP: 6.94758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01687  Sterimol/B1: 2.89962  Sterimol/B2: 3.19143  Sterimol/B3: 3.95527
  Sterimol/B4: 5.05195  Sterimol/L: 22.3023 
 
 Surface and Volume Properties
  Accessible surface: 674.449  Positive charged surface: 389.31  Negative charged surface: 285.139  Volume: 377.625
  Hydrophobic surface: 641.041  Hydrophilic surface: 33.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.