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MAYBRIDGE-ZINC00068807

 MMsINC code: MMs02127090
Type: Neutral
Formula: C19H12ClNOS
SMILES:   Clc1ccc(NC(=O)c2sc3c(c2)ccc2c3cccc2)cc1
InChI:   InChI=1/C19H12ClNOS/c20-14-7-9-15(10-8-14)21-19(22)17-11-13-6-5-12-3-1-2-4-16(12)18(13)23-17/h1-11H,(H,21,22)

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Potential Energy
Epot(MMFF94)=76.7675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.83 g/mol  logS: -7.62039  SlogP: 5.9602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00986993  Sterimol/B1: 2.56643  Sterimol/B2: 2.85598  Sterimol/B3: 3.44696
  Sterimol/B4: 6.12115  Sterimol/L: 19.0483 
 
 Surface and Volume Properties
  Accessible surface: 558.008  Positive charged surface: 235.487  Negative charged surface: 306.016  Volume: 302.125
  Hydrophobic surface: 518.223  Hydrophilic surface: 39.785
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.