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NCID-ZINC01763536

 MMsINC code: MMs02368562
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C1NC(CC(C)C)C(=O)NC1CC(C)C
InChI:   InChI=1/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=72.8704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -3.20336  SlogP: 1.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119767  Sterimol/B1: 2.09952  Sterimol/B2: 3.96076  Sterimol/B3: 4.56947
  Sterimol/B4: 5.36175  Sterimol/L: 13.3161 
 
 Surface and Volume Properties
  Accessible surface: 458.725  Positive charged surface: 305.536  Negative charged surface: 153.189  Volume: 234.375
  Hydrophobic surface: 257.266  Hydrophilic surface: 201.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.