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ASINEX-ZINC04999438

 MMsINC code: MMs00428312
Type: Neutral
Formula: C20H15ClN4O4
SMILES:   Clc1cccc(NC(=O)c2ccccc2)c1C(OCC(=O)Nc1ncccn1)=O
InChI:   InChI=1/C20H15ClN4O4/c21-14-8-4-9-15(24-18(27)13-6-2-1-3-7-13)17(14)19(28)29-12-16(26)25-20-22-10-5-11-23-20/h1-11H,12H2,(H,24,27)(H,22,23,25,26)

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Potential Energy
Epot(MMFF94)=88.2905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.817 g/mol  logS: -5.97192  SlogP: 3.1778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658936  Sterimol/B1: 2.5621  Sterimol/B2: 4.04262  Sterimol/B3: 4.32207
  Sterimol/B4: 11.6601  Sterimol/L: 16.8532 
 
 Surface and Volume Properties
  Accessible surface: 674.687  Positive charged surface: 372.053  Negative charged surface: 302.634  Volume: 359.625
  Hydrophobic surface: 527.071  Hydrophilic surface: 147.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.