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PUBCHEM-ZINC06580207

 MMsINC code: MMs03806920
Type: Neutral
Formula: C15H16N2O3
SMILES:   O=C1NC(=O)N(C2=C1CCC2)COCc1ccccc1
InChI:   InChI=1/C15H16N2O3/c18-14-12-7-4-8-13(12)17(15(19)16-14)10-20-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18,19)

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Potential Energy
Epot(MMFF94)=15.8251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.304 g/mol  logS: -2.34594  SlogP: 2.4169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158851  Sterimol/B1: 2.89237  Sterimol/B2: 4.62109  Sterimol/B3: 4.62951
  Sterimol/B4: 5.36738  Sterimol/L: 14.0031 
 
 Surface and Volume Properties
  Accessible surface: 490.649  Positive charged surface: 301.745  Negative charged surface: 188.904  Volume: 258.875
  Hydrophobic surface: 353.691  Hydrophilic surface: 136.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.