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ASINEX-ZINC01269268

 MMsINC code: MMs00234215
Type: Neutral
Formula: C14H7Cl2NO2S2
SMILES:   Clc1c(cccc1Cl)-c1oc(cc1)\C=C/1\SC(=S)NC\1=O
InChI:   InChI=1/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)/b11-6+

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Potential Energy
Epot(MMFF94)=59.9672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.253 g/mol  logS: -7.95927  SlogP: 4.7422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624311  Sterimol/B1: 2.24857  Sterimol/B2: 3.34025  Sterimol/B3: 4.93845
  Sterimol/B4: 7.05825  Sterimol/L: 15.9812 
 
 Surface and Volume Properties
  Accessible surface: 534.435  Positive charged surface: 189.982  Negative charged surface: 344.453  Volume: 277.5
  Hydrophobic surface: 347.975  Hydrophilic surface: 186.46
 
 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.