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ASINEX-ZINC00632230

 MMsINC code: MMs00143673
Type: Neutral
Formula: C19H16ClNO3S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChI:   InChI=1/C19H16ClNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.86 g/mol  logS: -5.59929  SlogP: 4.9862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661483  Sterimol/B1: 3.83494  Sterimol/B2: 4.2491  Sterimol/B3: 5.26131
  Sterimol/B4: 5.557  Sterimol/L: 16.8051 
 
 Surface and Volume Properties
  Accessible surface: 617.808  Positive charged surface: 293.933  Negative charged surface: 323.875  Volume: 331.375
  Hydrophobic surface: 527.605  Hydrophilic surface: 90.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.