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CHEMBRIDGE-ZINC00656162

 MMsINC code: MMs00638106
Type: Neutral
Formula: C19H12ClN3OS
SMILES:   Clc1sc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccncc1
InChI:   InChI=1/C19H12ClN3OS/c20-18-6-5-17(25-18)16-11-14(13-3-1-2-4-15(13)23-16)19(24)22-12-7-9-21-10-8-12/h1-11H,(H,21,22,24)

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Potential Energy
Epot(MMFF94)=92.8985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.844 g/mol  logS: -5.74855  SlogP: 5.264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176882  Sterimol/B1: 2.52658  Sterimol/B2: 2.58863  Sterimol/B3: 2.99608
  Sterimol/B4: 11.7715  Sterimol/L: 15.6154 
 
 Surface and Volume Properties
  Accessible surface: 591.59  Positive charged surface: 288.018  Negative charged surface: 298.382  Volume: 321.25
  Hydrophobic surface: 527.506  Hydrophilic surface: 64.084
 
 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.