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ASINEX-ZINC01099808

 MMsINC code: MMs00228879
Type: Neutral
Formula: C10H5Cl2NOS2
SMILES:   Clc1cccc(Cl)c1\C=C/1\SC(=S)NC\1=O
InChI:   InChI=1/C10H5Cl2NOS2/c11-6-2-1-3-7(12)5(6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+

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Potential Energy
Epot(MMFF94)=65.4817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.194 g/mol  logS: -5.81252  SlogP: 3.4822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0650012  Sterimol/B1: 2.51989  Sterimol/B2: 3.19783  Sterimol/B3: 3.73614
  Sterimol/B4: 5.7395  Sterimol/L: 13.6805 
 
 Surface and Volume Properties
  Accessible surface: 431.559  Positive charged surface: 130.391  Negative charged surface: 301.168  Volume: 219.5
  Hydrophobic surface: 253.309  Hydrophilic surface: 178.25
 
 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.