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ENAMINE-ZINC03277291

 MMsINC code: MMs01345896
Type: Neutral
Formula: C14H11Cl3N2O2S
SMILES:   Clc1c2c(sc1C(=O)N1CCN(CC1)C=O)cc(Cl)cc2Cl
InChI:   InChI=1/C14H11Cl3N2O2S/c15-8-5-9(16)11-10(6-8)22-13(12(11)17)14(21)19-3-1-18(7-20)2-4-19/h5-7H,1-4H2

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Potential Energy
Epot(MMFF94)=75.3192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.679 g/mol  logS: -5.39294  SlogP: 3.7757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665214  Sterimol/B1: 2.74772  Sterimol/B2: 2.80736  Sterimol/B3: 4.47185
  Sterimol/B4: 6.28138  Sterimol/L: 16.3115 
 
 Surface and Volume Properties
  Accessible surface: 536.494  Positive charged surface: 247.719  Negative charged surface: 283.272  Volume: 292.625
  Hydrophobic surface: 450.99  Hydrophilic surface: 85.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.