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PUBCHEM-ZINC05907241

 MMsINC code: MMs03439105
Type: Neutral
Formula: C15H20N2O3
SMILES:   O=C1N(CC(=O)NC(CC)C)C(=O)C2C1C1CC2C=C1
InChI:   InChI=1/C15H20N2O3/c1-3-8(2)16-11(18)7-17-14(19)12-9-4-5-10(6-9)13(12)15(17)20/h4-5,8-10,12-13H,3,6-7H2,1-2H3,(H,16,18)/t8-,9-,10+,12+,13-/m1/s1

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Potential Energy
Epot(MMFF94)=39.6443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -1.56667  SlogP: 0.7082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115519  Sterimol/B1: 2.71386  Sterimol/B2: 2.90542  Sterimol/B3: 4.92606
  Sterimol/B4: 5.54035  Sterimol/L: 14.4413 
 
 Surface and Volume Properties
  Accessible surface: 505.048  Positive charged surface: 347.252  Negative charged surface: 157.797  Volume: 269.125
  Hydrophobic surface: 333.531  Hydrophilic surface: 171.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.