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ASINEX-ZINC01231315

 MMsINC code: MMs00233380
Type: Neutral
Formula: C11H6ClNO3S2
SMILES:   Clc1cc2OCOc2cc1\C=C\1/SC(=S)NC/1=O
InChI:   InChI=1/C11H6ClNO3S2/c12-6-3-8-7(15-4-16-8)1-5(6)2-9-10(14)13-11(17)18-9/h1-3H,4H2,(H,13,14,17)/b9-2-

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Potential Energy
Epot(MMFF94)=64.6415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.758 g/mol  logS: -5.03333  SlogP: 2.5575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019525  Sterimol/B1: 2.66486  Sterimol/B2: 3.20589  Sterimol/B3: 5.13342
  Sterimol/B4: 6.03566  Sterimol/L: 12.8517 
 
 Surface and Volume Properties
  Accessible surface: 458.749  Positive charged surface: 186.415  Negative charged surface: 272.334  Volume: 230.125
  Hydrophobic surface: 211.738  Hydrophilic surface: 247.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.