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CHEMDIV-ZINC05070058

 MMsINC code: MMs00987434
Type: Neutral
Formula: C16H16ClNOS
SMILES:   Clc1cccc(NC(=O)c2c3CCCCc3sc2)c1C
InChI:   InChI=1/C16H16ClNOS/c1-10-13(17)6-4-7-14(10)18-16(19)12-9-20-15-8-3-2-5-11(12)15/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=60.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.829 g/mol  logS: -4.99219  SlogP: 4.84096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343169  Sterimol/B1: 2.71986  Sterimol/B2: 2.94357  Sterimol/B3: 3.36931
  Sterimol/B4: 6.72484  Sterimol/L: 15.838 
 
 Surface and Volume Properties
  Accessible surface: 514.568  Positive charged surface: 277.311  Negative charged surface: 237.256  Volume: 280.25
  Hydrophobic surface: 491.884  Hydrophilic surface: 22.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.