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NCID-ZINC01567846

 MMsINC code: MMs02228810
Type: Neutral
Formula: C19H14ClNO2S
SMILES:   ClC=1C(OC2=C(CSc3c2cccc3)C=1N(C)c1ccccc1)=O
InChI:   InChI=1/C19H14ClNO2S/c1-21(12-7-3-2-4-8-12)17-14-11-24-15-10-6-5-9-13(15)18(14)23-19(22)16(17)20/h2-10H,11H2,1H3

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Potential Energy
Epot(MMFF94)=118.098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.845 g/mol  logS: -7.11081  SlogP: 4.7559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135311  Sterimol/B1: 2.26944  Sterimol/B2: 3.15649  Sterimol/B3: 6.53
  Sterimol/B4: 6.72392  Sterimol/L: 15.4573 
 
 Surface and Volume Properties
  Accessible surface: 538.599  Positive charged surface: 273.99  Negative charged surface: 264.609  Volume: 314.125
  Hydrophobic surface: 441.91  Hydrophilic surface: 96.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.