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ASINEX-ZINC02672841

 MMsINC code: MMs00276114
Type: Neutral
Formula: C16H11ClO3S
SMILES:   Clc1ccc(S(Oc2cc3c(cc2)cccc3)(=O)=O)cc1
InChI:   InChI=1/C16H11ClO3S/c17-14-6-9-16(10-7-14)21(18,19)20-15-8-5-12-3-1-2-4-13(12)11-15/h1-11H

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Potential Energy
Epot(MMFF94)=78.0223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.78 g/mol  logS: -6.09438  SlogP: 4.2609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616102  Sterimol/B1: 3.08539  Sterimol/B2: 3.39051  Sterimol/B3: 3.71572
  Sterimol/B4: 6.32472  Sterimol/L: 14.5398 
 
 Surface and Volume Properties
  Accessible surface: 504.951  Positive charged surface: 200.001  Negative charged surface: 295.219  Volume: 269.25
  Hydrophobic surface: 433.652  Hydrophilic surface: 71.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.