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ENAMINE-ZINC03550301

 MMsINC code: MMs01503164
Type: Neutral
Formula: C19H20ClNO4S
SMILES:   Clc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(cc2)C)cc1
InChI:   InChI=1/C19H20ClNO4S/c1-14-5-6-15(19(22)25-17-9-7-16(20)8-10-17)13-18(14)26(23,24)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.891 g/mol  logS: -5.06141  SlogP: 4.04222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435214  Sterimol/B1: 2.5363  Sterimol/B2: 2.89224  Sterimol/B3: 4.27805
  Sterimol/B4: 7.43091  Sterimol/L: 19.2443 
 
 Surface and Volume Properties
  Accessible surface: 624.828  Positive charged surface: 332.831  Negative charged surface: 291.997  Volume: 347.25
  Hydrophobic surface: 541.773  Hydrophilic surface: 83.055
 
 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.