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ASINEX-ZINC02358133

 MMsINC code: MMs00270108
Type: Neutral
Formula: C19H17ClN4O3
SMILES:   Clc1ccc(cc1)-c1nc(on1)CCC(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C19H17ClN4O3/c1-12(25)21-15-6-8-16(9-7-15)22-17(26)10-11-18-23-19(24-27-18)13-2-4-14(20)5-3-13/h2-9H,10-11H2,1H3,(H,21,25)(H,22,26)

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Potential Energy
Epot(MMFF94)=93.6855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.823 g/mol  logS: -6.04085  SlogP: 3.91967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.02246  Sterimol/B1: 3.19121  Sterimol/B2: 3.64634  Sterimol/B3: 3.77405
  Sterimol/B4: 4.11532  Sterimol/L: 23.9873 
 
 Surface and Volume Properties
  Accessible surface: 667.474  Positive charged surface: 357.495  Negative charged surface: 309.979  Volume: 342.625
  Hydrophobic surface: 525.094  Hydrophilic surface: 142.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.