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CHEMBRIDGE-ZINC01132402

 MMsINC code: MMs00667520
Type: Neutral
Formula: C24H22N2O3
SMILES:   O1CCN(CC1)c1c2c3c(cc1)C(=O)N(c1ccccc1CC)C(=O)c3ccc2
InChI:   InChI=1/C24H22N2O3/c1-2-16-6-3-4-9-20(16)26-23(27)18-8-5-7-17-21(25-12-14-29-15-13-25)11-10-19(22(17)18)24(26)28/h3-11H,2,12-15H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -6.53105  SlogP: 4.03937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101488  Sterimol/B1: 2.53444  Sterimol/B2: 3.42928  Sterimol/B3: 5.65301
  Sterimol/B4: 6.1732  Sterimol/L: 17.5107 
 
 Surface and Volume Properties
  Accessible surface: 616.592  Positive charged surface: 398.417  Negative charged surface: 208.872  Volume: 369.75
  Hydrophobic surface: 530.674  Hydrophilic surface: 85.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.