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ENAMINE-ZINC06507668

 MMsINC code: MMs01664523
Type: Neutral
Formula: C23H26N4O4
SMILES:   O(CC(=O)N(CCC)C=1C(=O)NC(=O)N(Cc2ccccc2)C=1N)c1ccccc1C
InChI:   InChI=1/C23H26N4O4/c1-3-13-26(19(28)15-31-18-12-8-7-9-16(18)2)20-21(24)27(23(30)25-22(20)29)14-17-10-5-4-6-11-17/h4-12H,3,13-15,24H2,1-2H3,(H,25,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.6944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.485 g/mol  logS: -4.78738  SlogP: 2.75862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101799  Sterimol/B1: 2.29389  Sterimol/B2: 3.50429  Sterimol/B3: 5.51764
  Sterimol/B4: 10.3512  Sterimol/L: 17.9927 
 
 Surface and Volume Properties
  Accessible surface: 705.775  Positive charged surface: 428.716  Negative charged surface: 277.059  Volume: 403
  Hydrophobic surface: 522.71  Hydrophilic surface: 183.065
 
 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.