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CHEMBRIDGE-ZINC01162890

 MMsINC code: MMs00676632
Type: Neutral
Formula: C16H10ClN3OS3
SMILES:   Clc1cc2nc(sc2cc1)SCC(=O)Nc1sc2c(n1)cccc2
InChI:   InChI=1/C16H10ClN3OS3/c17-9-5-6-13-11(7-9)19-16(24-13)22-8-14(21)20-15-18-10-3-1-2-4-12(10)23-15/h1-7H,8H2,(H,18,20,21)

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Potential Energy
Epot(MMFF94)=57.8518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.927 g/mol  logS: -7.7107  SlogP: 5.2902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00141576  Sterimol/B1: 2.37405  Sterimol/B2: 2.37505  Sterimol/B3: 3.33361
  Sterimol/B4: 4.66691  Sterimol/L: 21.775 
 
 Surface and Volume Properties
  Accessible surface: 612.233  Positive charged surface: 266.081  Negative charged surface: 346.152  Volume: 318.75
  Hydrophobic surface: 456.592  Hydrophilic surface: 155.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.