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CHEMBRIDGE-ZINC01876079

 MMsINC code: MMs00699387
Type: Neutral
Formula: C19H16ClNO3S
SMILES:   Clc1cc2c(NC(=O)C(SCCOC(=O)C)=C2c2ccccc2)cc1
InChI:   InChI=1/C19H16ClNO3S/c1-12(22)24-9-10-25-18-17(13-5-3-2-4-6-13)15-11-14(20)7-8-16(15)21-19(18)23/h2-8,11H,9-10H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=78.6976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.86 g/mol  logS: -6.19993  SlogP: 4.16509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840228  Sterimol/B1: 2.49822  Sterimol/B2: 4.57837  Sterimol/B3: 4.9849
  Sterimol/B4: 7.53021  Sterimol/L: 17.7889 
 
 Surface and Volume Properties
  Accessible surface: 623.914  Positive charged surface: 333.543  Negative charged surface: 290.371  Volume: 334.5
  Hydrophobic surface: 495.511  Hydrophilic surface: 128.403
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.