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PUBCHEM-ZINC02073037

 MMsINC code: MMs02869552
Type: Neutral
Formula: C26H16ClNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1c3c4c5c(cc3)cccc5ccc4cc1)cc(cc2)C
InChI:   InChI=1/C26H16ClNOS/c1-14-5-10-19-21(13-14)30-25(24(19)27)26(29)28-20-12-9-17-7-6-15-3-2-4-16-8-11-18(20)23(17)22(15)16/h2-13H,1H3,(H,28,29)

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Potential Energy
Epot(MMFF94)=159.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.939 g/mol  logS: -11.3016  SlogP: 8.01282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00992582  Sterimol/B1: 2.62398  Sterimol/B2: 3.4227  Sterimol/B3: 3.79041
  Sterimol/B4: 6.72893  Sterimol/L: 20.1264 
 
 Surface and Volume Properties
  Accessible surface: 658.266  Positive charged surface: 287.433  Negative charged surface: 331.128  Volume: 387
  Hydrophobic surface: 631.452  Hydrophilic surface: 26.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.