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CHEMDIV-ZINC02498077

 MMsINC code: MMs00881921
Type: Neutral
Formula: C13H16N2O3
SMILES:   o1cccc1CNC(=O)c1noc(c1)CC(C)C
InChI:   InChI=1/C13H16N2O3/c1-9(2)6-11-7-12(15-18-11)13(16)14-8-10-4-3-5-17-10/h3-5,7,9H,6,8H2,1-2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=37.9839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.282 g/mol  logS: -3.39535  SlogP: 2.66247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497265  Sterimol/B1: 2.62802  Sterimol/B2: 3.23364  Sterimol/B3: 3.40318
  Sterimol/B4: 4.55537  Sterimol/L: 16.5053 
 
 Surface and Volume Properties
  Accessible surface: 505.84  Positive charged surface: 294.875  Negative charged surface: 210.965  Volume: 240.625
  Hydrophobic surface: 363.597  Hydrophilic surface: 142.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.