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CHEMBRIDGE-ZINC04276230

 MMsINC code: MMs00767192
Type: Neutral
Formula: C26H24N2O3
SMILES:   O=C1N(CC(=O)N2CCC(CC2)Cc2ccccc2)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C26H24N2O3/c29-23(27-14-12-19(13-15-27)16-18-6-2-1-3-7-18)17-28-25(30)21-10-4-8-20-9-5-11-22(24(20)21)26(28)31/h1-11,19H,12-17H2

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Potential Energy
Epot(MMFF94)=86.4067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.489 g/mol  logS: -6.65072  SlogP: 3.91707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062845  Sterimol/B1: 2.3103  Sterimol/B2: 4.60687  Sterimol/B3: 5.02479
  Sterimol/B4: 6.34358  Sterimol/L: 20.1343 
 
 Surface and Volume Properties
  Accessible surface: 685.126  Positive charged surface: 406.987  Negative charged surface: 265.786  Volume: 395.75
  Hydrophobic surface: 595.644  Hydrophilic surface: 89.482
 
 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.