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CHEMBRIDGE-ZINC01187103

 MMsINC code: MMs00683767
Type: Neutral
Formula: C15H9Cl2NO2S2
SMILES:   Clc1cc(cc(Cl)c1)-c1oc(cc1)\C=C/1\SC(=S)N(C)C\1=O
InChI:   InChI=1/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-11-2-3-12(20-11)8-4-9(16)6-10(17)5-8/h2-7H,1H3/b13-7-

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Potential Energy
Epot(MMFF94)=35.2392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.28 g/mol  logS: -7.85328  SlogP: 5.0844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00334045  Sterimol/B1: 2.34407  Sterimol/B2: 2.51312  Sterimol/B3: 5.06294
  Sterimol/B4: 6.32808  Sterimol/L: 16.7129 
 
 Surface and Volume Properties
  Accessible surface: 569.569  Positive charged surface: 212.161  Negative charged surface: 357.407  Volume: 298.625
  Hydrophobic surface: 429.799  Hydrophilic surface: 139.77
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.