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CHEMBRIDGE-ZINC00276107

 MMsINC code: MMs00600089
Type: Neutral
Formula: C16H20N2O3
SMILES:   OC=1c2c(N(CC)C(=O)C=1C(=O)NCC(C)C)cccc2
InChI:   InChI=1/C16H20N2O3/c1-4-18-12-8-6-5-7-11(12)14(19)13(16(18)21)15(20)17-9-10(2)3/h5-8,10,19H,4,9H2,1-3H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=52.9755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.347 g/mol  logS: -3.0234  SlogP: 2.0944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521813  Sterimol/B1: 2.26891  Sterimol/B2: 3.38936  Sterimol/B3: 3.52094
  Sterimol/B4: 8.06883  Sterimol/L: 15.2579 
 
 Surface and Volume Properties
  Accessible surface: 525.41  Positive charged surface: 336.093  Negative charged surface: 189.317  Volume: 284.375
  Hydrophobic surface: 372.065  Hydrophilic surface: 153.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.