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CHEMDIV-ZINC02803725

 MMsINC code: MMs00888096
Type: Neutral
Formula: C14H16N2O3
SMILES:   o1cccc1CNC(=O)c1noc2c1CC(CC2)C
InChI:   InChI=1/C14H16N2O3/c1-9-4-5-12-11(7-9)13(16-19-12)14(17)15-8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=43.5452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -3.45378  SlogP: 2.58874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036901  Sterimol/B1: 2.37245  Sterimol/B2: 3.04143  Sterimol/B3: 3.38513
  Sterimol/B4: 5.99974  Sterimol/L: 16.0336 
 
 Surface and Volume Properties
  Accessible surface: 495.928  Positive charged surface: 307.44  Negative charged surface: 188.488  Volume: 245.375
  Hydrophobic surface: 381.99  Hydrophilic surface: 113.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.