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CHEMBRIDGE-ZINC01057638

MMsINC code: MMs00655249

Type: Neutral
Formula: C28H20N2O2
SMILES:   O=C(Nc1c2c(ccc1)cccc2)c1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C28H20N2O2/c31-27(29-25-13-5-9-19-7-1-3-11-23(19)25)21-15-17-22(18-16-21)28(32)30-26-14-6-10-20-8-2-4-12-24(20)26/h1-18H,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=152.903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.48 g/mol  logS: -9.08062  SlogP: 6.4976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214569  Sterimol/B1: 2.28415  Sterimol/B2: 2.34668  Sterimol/B3: 4.35057
  Sterimol/B4: 7.98336  Sterimol/L: 20.858 
 
 Surface and Volume Properties
  Accessible surface: 701.177  Positive charged surface: 346.401  Negative charged surface: 333.325  Volume: 405.375
  Hydrophobic surface: 639.706  Hydrophilic surface: 61.471
 
 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: 0

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Ions/Tautomers related molecules: no related molecules available.