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PUBCHEM-ZINC03338405

 MMsINC code: MMs03011962
Type: Neutral
Formula: C19H16N2O3
SMILES:   O1c2c(OC1)cc1nc(cc(c1c2)C)-c1cc(NC(=O)C)ccc1
InChI:   InChI=1/C19H16N2O3/c1-11-6-16(13-4-3-5-14(7-13)20-12(2)22)21-17-9-19-18(8-15(11)17)23-10-24-19/h3-9H,10H2,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.348 g/mol  logS: -5.00707  SlogP: 3.89732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013413  Sterimol/B1: 2.38035  Sterimol/B2: 2.55626  Sterimol/B3: 2.67794
  Sterimol/B4: 8.45842  Sterimol/L: 15.365 
 
 Surface and Volume Properties
  Accessible surface: 562.387  Positive charged surface: 335.311  Negative charged surface: 216.283  Volume: 300.125
  Hydrophobic surface: 434.634  Hydrophilic surface: 127.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.