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NCID-ZINC05368562

 MMsINC code: MMs02454903
Type: Neutral
Formula: C13H18N2O3
SMILES:   O=C1N(C(CC)C(=O)N)C(=O)C2C1C1CC2CC1
InChI:   InChI=1/C13H18N2O3/c1-2-8(11(14)16)15-12(17)9-6-3-4-7(5-6)10(9)13(15)18/h6-10H,2-5H2,1H3,(H2,14,16)/t6-,7+,8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=104.295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.298 g/mol  logS: -2.50977  SlogP: 0.2814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151913  Sterimol/B1: 2.3032  Sterimol/B2: 3.63476  Sterimol/B3: 4.41735
  Sterimol/B4: 6.4283  Sterimol/L: 12.2501 
 
 Surface and Volume Properties
  Accessible surface: 434.284  Positive charged surface: 282.457  Negative charged surface: 151.827  Volume: 235
  Hydrophobic surface: 262.517  Hydrophilic surface: 171.767
 
 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.