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PUBCHEM-ZINC06185283

 MMsINC code: MMs03586293
Type: Neutral
Formula: C19H17N3O3
SMILES:   Oc1cc(O)ccc1/C(=N/NC(=O)c1ccccc1-n1cccc1)/C
InChI:   InChI=1/C19H17N3O3/c1-13(15-9-8-14(23)12-18(15)24)20-21-19(25)16-6-2-3-7-17(16)22-10-4-5-11-22/h2-12,23-24H,1H3,(H,21,25)/b20-13-

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Potential Energy
Epot(MMFF94)=129.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.363 g/mol  logS: -3.2815  SlogP: 3.0425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833314  Sterimol/B1: 2.12392  Sterimol/B2: 2.33569  Sterimol/B3: 4.82825
  Sterimol/B4: 8.84038  Sterimol/L: 15.1503 
 
 Surface and Volume Properties
  Accessible surface: 595.807  Positive charged surface: 337.191  Negative charged surface: 258.616  Volume: 320.25
  Hydrophobic surface: 441.028  Hydrophilic surface: 154.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.