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PUBCHEM-ZINC00670980

MMsINC code: MMs02724461

Type: Neutral
Formula: C25H22N2O2
SMILES:   O(C)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1cccc(C)c1C
InChI:   InChI=1/C25H22N2O2/c1-16-8-6-13-22(17(16)2)27-25(28)21-15-24(18-9-7-10-19(14-18)29-3)26-23-12-5-4-11-20(21)23/h4-15H,1-3H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=139.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.463 g/mol  logS: -7.02336  SlogP: 5.77954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205408  Sterimol/B1: 2.53609  Sterimol/B2: 2.57437  Sterimol/B3: 3.69889
  Sterimol/B4: 10.5758  Sterimol/L: 18.7351 
 
 Surface and Volume Properties
  Accessible surface: 658.073  Positive charged surface: 392.968  Negative charged surface: 255.466  Volume: 379.375
  Hydrophobic surface: 608.913  Hydrophilic surface: 49.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.