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ASINEX-ZINC01330539

 MMsINC code: MMs00237321
Type: Neutral
Formula: C18H18ClFN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccccc2F)cc1
InChI:   InChI=1/C18H18ClFN2O3S/c19-14-7-9-15(10-8-14)26(24,25)22-11-3-6-17(22)18(23)21-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,23)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.87 g/mol  logS: -4.82056  SlogP: 3.215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764747  Sterimol/B1: 3.28965  Sterimol/B2: 4.53583  Sterimol/B3: 5.05287
  Sterimol/B4: 5.38883  Sterimol/L: 17.6391 
 
 Surface and Volume Properties
  Accessible surface: 628.922  Positive charged surface: 317.77  Negative charged surface: 311.151  Volume: 338.625
  Hydrophobic surface: 549.438  Hydrophilic surface: 79.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.