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ENAMINE-ZINC03230863

 MMsINC code: MMs01318997
Type: Neutral
Formula: C15H14ClNOS
SMILES:   Clc1cc(ccc1NC(=O)c1sc2CCCc2c1)C
InChI:   InChI=1/C15H14ClNOS/c1-9-5-6-12(11(16)7-9)17-15(18)14-8-10-3-2-4-13(10)19-14/h5-8H,2-4H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=73.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.802 g/mol  logS: -4.94334  SlogP: 4.45086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150412  Sterimol/B1: 2.80055  Sterimol/B2: 2.98596  Sterimol/B3: 3.23085
  Sterimol/B4: 5.43168  Sterimol/L: 16.8902 
 
 Surface and Volume Properties
  Accessible surface: 521.995  Positive charged surface: 283.662  Negative charged surface: 238.333  Volume: 264.625
  Hydrophobic surface: 486.86  Hydrophilic surface: 35.135
 
 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.