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ENAMINE-ZINC02655456

 MMsINC code: MMs01278523
Type: Neutral
Formula: C25H20N2O3
SMILES:   O(C(=O)c1ccccc1Nc1ccccc1)CC(=O)Nc1cc2c(cc1)cccc2
InChI:   InChI=1/C25H20N2O3/c28-24(27-21-15-14-18-8-4-5-9-19(18)16-21)17-30-25(29)22-12-6-7-13-23(22)26-20-10-2-1-3-11-20/h1-16,26H,17H2,(H,27,28)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.446 g/mol  logS: -7.26124  SlogP: 5.3789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326702  Sterimol/B1: 2.37189  Sterimol/B2: 3.00159  Sterimol/B3: 4.60721
  Sterimol/B4: 9.22863  Sterimol/L: 18.7254 
 
 Surface and Volume Properties
  Accessible surface: 695.996  Positive charged surface: 395.778  Negative charged surface: 288.324  Volume: 384.25
  Hydrophobic surface: 613.52  Hydrophilic surface: 82.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.