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ENAMINE-ZINC02654954

 MMsINC code: MMs01278145
Type: Neutral
Formula: C21H21ClFNO5S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(OCCCC(=O)c1ccc(F)cc1)=O
InChI:   InChI=1/C21H21ClFNO5S/c22-18-10-7-16(14-20(18)30(27,28)24-11-1-2-12-24)21(26)29-13-3-4-19(25)15-5-8-17(23)9-6-15/h5-10,14H,1-4,11-13H2

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Potential Energy
Epot(MMFF94)=69.1999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.918 g/mol  logS: -5.44476  SlogP: 4.0835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325078  Sterimol/B1: 3.05897  Sterimol/B2: 4.01754  Sterimol/B3: 5.00183
  Sterimol/B4: 5.12774  Sterimol/L: 22.7594 
 
 Surface and Volume Properties
  Accessible surface: 712.495  Positive charged surface: 398.515  Negative charged surface: 313.98  Volume: 389.875
  Hydrophobic surface: 588.294  Hydrophilic surface: 124.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.