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CHEMDIV-ZINC00994540

 MMsINC code: MMs00861203
Type: Neutral
Formula: C19H15ClN2OS
SMILES:   Clc1cccnc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChI:   InChI=1/C19H15ClN2OS/c20-16-12-7-13-21-18(16)22-19(23)17(14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-13,17H,(H,21,22,23)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=112.92 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.861 g/mol  logS: -5.95802  SlogP: 5.3026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122202  Sterimol/B1: 2.48347  Sterimol/B2: 3.4815  Sterimol/B3: 5.76401
  Sterimol/B4: 7.91254  Sterimol/L: 16.5674 
 
 Surface and Volume Properties
  Accessible surface: 587.547  Positive charged surface: 297.374  Negative charged surface: 290.172  Volume: 324.125
  Hydrophobic surface: 521.112  Hydrophilic surface: 66.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.