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ENAMINE-ZINC03065581

 MMsINC code: MMs01289391
Type: Neutral
Formula: C19H14ClNO4S
SMILES:   Clc1ccc(N(S(=O)(=O)c2ccccc2)OC(=O)c2ccccc2)cc1
InChI:   InChI=1/C19H14ClNO4S/c20-16-11-13-17(14-12-16)21(25-19(22)15-7-3-1-4-8-15)26(23,24)18-9-5-2-6-10-18/h1-14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.843 g/mol  logS: -5.96301  SlogP: 4.3073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104102  Sterimol/B1: 3.104  Sterimol/B2: 4.75659  Sterimol/B3: 4.81782
  Sterimol/B4: 8.48  Sterimol/L: 15.3192 
 
 Surface and Volume Properties
  Accessible surface: 595.688  Positive charged surface: 243.657  Negative charged surface: 352.031  Volume: 332.5
  Hydrophobic surface: 527.037  Hydrophilic surface: 68.651
 
 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.