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ENAMINE-ZINC05120625

MMsINC code: MMs01589769

Type: Neutral
Formula: C14H20ClNO2S
SMILES:   Clc1ccccc1S(=O)(=O)NC1CCCCCCC1
InChI:   InChI=1/C14H20ClNO2S/c15-13-10-6-7-11-14(13)19(17,18)16-12-8-4-2-1-3-5-9-12/h6-7,10-12,16H,1-5,8-9H2

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=66.7063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.838 g/mol  logS: -4.45873  SlogP: 3.7312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216437  Sterimol/B1: 2.89739  Sterimol/B2: 3.08144  Sterimol/B3: 5.04473
  Sterimol/B4: 6.42348  Sterimol/L: 12.1265 
 
 Surface and Volume Properties
  Accessible surface: 471.13  Positive charged surface: 265.378  Negative charged surface: 205.753  Volume: 272
  Hydrophobic surface: 400.148  Hydrophilic surface: 70.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.