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CHEMSTAR-ZINC04511051

 MMsINC code: MMs01113798
Type: Neutral
Formula: C19H15ClN2O2S
SMILES:   Clc1cc(ccc1)C(=O)N\N=C\c1oc(Sc2ccc(cc2)C)cc1
InChI:   InChI=1/C19H15ClN2O2S/c1-13-5-8-17(9-6-13)25-18-10-7-16(24-18)12-21-22-19(23)14-3-2-4-15(20)11-14/h2-12H,1H3,(H,22,23)/b21-12+

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Potential Energy
Epot(MMFF94)=84.2833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.86 g/mol  logS: -7.65445  SlogP: 5.15652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392358  Sterimol/B1: 2.12553  Sterimol/B2: 3.52803  Sterimol/B3: 3.8352
  Sterimol/B4: 10.5427  Sterimol/L: 16.5183 
 
 Surface and Volume Properties
  Accessible surface: 645.162  Positive charged surface: 321.885  Negative charged surface: 323.277  Volume: 337.375
  Hydrophobic surface: 568.478  Hydrophilic surface: 76.684
 
 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.