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PUBCHEM-ZINC00573694

MMsINC code: MMs02707538

Type: Neutral
Formula: C23H19NO2
SMILES:   O(CCn1cc(c2c1cccc2)C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H19NO2/c25-23(18-9-3-1-4-10-18)21-17-24(22-14-8-7-13-20(21)22)15-16-26-19-11-5-2-6-12-19/h1-14,17H,15-16H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=97.6019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.41 g/mol  logS: -5.48632  SlogP: 5.2177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974914  Sterimol/B1: 2.4882  Sterimol/B2: 3.53684  Sterimol/B3: 4.57417
  Sterimol/B4: 10.5022  Sterimol/L: 16.2597 
 
 Surface and Volume Properties
  Accessible surface: 629.883  Positive charged surface: 342.498  Negative charged surface: 281.987  Volume: 345.5
  Hydrophobic surface: 585.426  Hydrophilic surface: 44.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.