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CHEMDIV-ZINC05036536

 MMsINC code: MMs00982236
Type: Neutral
Formula: C16H15ClN2O2S
SMILES:   Clc1sc2cc(n(c2c1)C)C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C16H15ClN2O2S/c1-19-12-8-15(17)22-14(12)7-13(19)16(20)18-9-10-3-5-11(21-2)6-4-10/h3-8H,9H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=40.2703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.827 g/mol  logS: -4.35422  SlogP: 4.4574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043873  Sterimol/B1: 2.25725  Sterimol/B2: 3.18036  Sterimol/B3: 4.31884
  Sterimol/B4: 7.25971  Sterimol/L: 18.5521 
 
 Surface and Volume Properties
  Accessible surface: 575.658  Positive charged surface: 321.061  Negative charged surface: 254.597  Volume: 302.125
  Hydrophobic surface: 519.156  Hydrophilic surface: 56.502
 
 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.