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PUBCHEM-ZINC06452594

 MMsINC code: MMs03741333
Type: Neutral
Formula: C23H18N2O3
SMILES:   OC=1N(Cc2ccccc2)C(=O)c2c(cccc2)C=1\C=N\c1ccc(O)cc1
InChI:   InChI=1/C23H18N2O3/c26-18-12-10-17(11-13-18)24-14-21-19-8-4-5-9-20(19)22(27)25(23(21)28)15-16-6-2-1-3-7-16/h1-14,26,28H,15H2/b24-14+

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Potential Energy
Epot(MMFF94)=101.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.408 g/mol  logS: -5.15  SlogP: 4.9437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631941  Sterimol/B1: 2.29374  Sterimol/B2: 3.10558  Sterimol/B3: 5.41257
  Sterimol/B4: 9.34834  Sterimol/L: 17.0569 
 
 Surface and Volume Properties
  Accessible surface: 631.296  Positive charged surface: 362.157  Negative charged surface: 269.139  Volume: 354.25
  Hydrophobic surface: 510.873  Hydrophilic surface: 120.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.