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ENAMINE-ZINC03317801

 MMsINC code: MMs01368146
Type: Neutral
Formula: C19H25ClN2O5S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(OCC(=O)NC1CCCCC1)=O
InChI:   InChI=1/C19H25ClN2O5S/c20-16-9-8-14(12-17(16)28(25,26)22-10-4-5-11-22)19(24)27-13-18(23)21-15-6-2-1-3-7-15/h8-9,12,15H,1-7,10-11,13H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=52.3 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.937 g/mol  logS: -4.61055  SlogP: 2.7302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453228  Sterimol/B1: 3.18297  Sterimol/B2: 4.05464  Sterimol/B3: 4.56286
  Sterimol/B4: 5.4785  Sterimol/L: 21.0216 
 
 Surface and Volume Properties
  Accessible surface: 683.424  Positive charged surface: 444.076  Negative charged surface: 239.348  Volume: 378.25
  Hydrophobic surface: 546.685  Hydrophilic surface: 136.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.