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ASINEX-ZINC04861413

 MMsINC code: MMs00388098
Type: Neutral
Formula: C20H26N4O5
SMILES:   o1nc(NC(=O)CCC(=O)N(CC(=O)NCCOC)c2ccc(cc2)C)cc1C
InChI:   InChI=1/C20H26N4O5/c1-14-4-6-16(7-5-14)24(13-19(26)21-10-11-28-3)20(27)9-8-18(25)22-17-12-15(2)29-23-17/h4-7,12H,8-11,13H2,1-3H3,(H,21,26)(H,22,23,25)

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Potential Energy
Epot(MMFF94)=89.3165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.451 g/mol  logS: -3.30138  SlogP: 1.80594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430462  Sterimol/B1: 2.15517  Sterimol/B2: 3.1883  Sterimol/B3: 4.34189
  Sterimol/B4: 10.2901  Sterimol/L: 21.8712 
 
 Surface and Volume Properties
  Accessible surface: 733.202  Positive charged surface: 508.028  Negative charged surface: 225.174  Volume: 383.625
  Hydrophobic surface: 578.164  Hydrophilic surface: 155.038
 
 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.