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CHEMDIV-ZINC02465954

 MMsINC code: MMs00878269
Type: Neutral
Formula: C16H16N2O3
SMILES:   O1CCN(CC1)C(=O)c1noc-2c1CCc1c-2cccc1
InChI:   InChI=1/C16H16N2O3/c19-16(18-7-9-20-10-8-18)14-13-6-5-11-3-1-2-4-12(11)15(13)21-17-14/h1-4H,5-10H2

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Potential Energy
Epot(MMFF94)=114.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.315 g/mol  logS: -3.4433  SlogP: 1.91254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312104  Sterimol/B1: 2.91325  Sterimol/B2: 3.43945  Sterimol/B3: 3.80343
  Sterimol/B4: 4.64667  Sterimol/L: 15.8561 
 
 Surface and Volume Properties
  Accessible surface: 492.177  Positive charged surface: 350.209  Negative charged surface: 141.968  Volume: 263.875
  Hydrophobic surface: 432.379  Hydrophilic surface: 59.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.