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ENAMINE-ZINC06507511

 MMsINC code: MMs01664428
Type: Neutral
Formula: C19H14Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1COc1ccccc1C(=O)NNC(=O)c1occc1
InChI:   InChI=1/C19H14Cl2N2O4/c20-13-8-7-12(15(21)10-13)11-27-16-5-2-1-4-14(16)18(24)22-23-19(25)17-6-3-9-26-17/h1-10H,11H2,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=96.5676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.237 g/mol  logS: -6.62183  SlogP: 4.5066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00224031  Sterimol/B1: 2.3733  Sterimol/B2: 2.37679  Sterimol/B3: 2.50542
  Sterimol/B4: 11.9978  Sterimol/L: 18.0984 
 
 Surface and Volume Properties
  Accessible surface: 648.038  Positive charged surface: 267.412  Negative charged surface: 380.626  Volume: 344.875
  Hydrophobic surface: 547.073  Hydrophilic surface: 100.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.