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PUBCHEM-ZINC06071409

 MMsINC code: MMs03524246
Type: Neutral
Formula: C23H16N2O2
SMILES:   o1c2c(nc1-c1ccc(cc1)\C=C\c1oc3c(n1)cc(cc3)C)cccc2
InChI:   InChI=1/C23H16N2O2/c1-15-6-12-21-19(14-15)24-22(26-21)13-9-16-7-10-17(11-8-16)23-25-18-4-2-3-5-20(18)27-23/h2-14H,1H3/b13-9+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.393 g/mol  logS: -7.88358  SlogP: 6.11482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000957615  Sterimol/B1: 2.10643  Sterimol/B2: 2.51238  Sterimol/B3: 3.25778
  Sterimol/B4: 5.14532  Sterimol/L: 22.9755 
 
 Surface and Volume Properties
  Accessible surface: 653.799  Positive charged surface: 351.638  Negative charged surface: 302.16  Volume: 341.125
  Hydrophobic surface: 568.972  Hydrophilic surface: 84.827
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.