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CHEMDIV-ZINC04885851

 MMsINC code: MMs00961336
Type: Neutral
Formula: C19H13ClN2OS
SMILES:   Clc1cc(NC(=O)c2sc3nc4cc(ccc4cc3c2)C)ccc1
InChI:   InChI=1/C19H13ClN2OS/c1-11-5-6-12-8-13-9-17(24-19(13)22-16(12)7-11)18(23)21-15-4-2-3-14(20)10-15/h2-10H,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=80.2354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.845 g/mol  logS: -7.56947  SlogP: 5.66362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00888912  Sterimol/B1: 2.70526  Sterimol/B2: 2.83695  Sterimol/B3: 3.03685
  Sterimol/B4: 5.54777  Sterimol/L: 19.627 
 
 Surface and Volume Properties
  Accessible surface: 588.49  Positive charged surface: 260.28  Negative charged surface: 317.901  Volume: 314
  Hydrophobic surface: 517.422  Hydrophilic surface: 71.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.