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ENAMINE-ZINC02635972

 MMsINC code: MMs01265598
Type: Neutral
Formula: C15H13Cl2NO4S
SMILES:   Clc1c(S(=O)(=O)Nc2ccccc2C(OCC)=O)cccc1Cl
InChI:   InChI=1/C15H13Cl2NO4S/c1-2-22-15(19)10-6-3-4-8-12(10)18-23(20,21)13-9-5-7-11(16)14(13)17/h3-9,18H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.244 g/mol  logS: -5.22424  SlogP: 3.9709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690505  Sterimol/B1: 4.40623  Sterimol/B2: 4.54921  Sterimol/B3: 4.59362
  Sterimol/B4: 5.87072  Sterimol/L: 16.1149 
 
 Surface and Volume Properties
  Accessible surface: 560.295  Positive charged surface: 256.341  Negative charged surface: 303.954  Volume: 300.5
  Hydrophobic surface: 442.646  Hydrophilic surface: 117.649
 
 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.