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PUBCHEM-ZINC05984828

 MMsINC code: MMs03477229
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C1NC(C(CC)C)C(=O)NC1C(CC)C
InChI:   InChI=1/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8-,9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=78.8701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -2.57646  SlogP: 1.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994407  Sterimol/B1: 2.90809  Sterimol/B2: 3.29943  Sterimol/B3: 4.00744
  Sterimol/B4: 4.20619  Sterimol/L: 13.194 
 
 Surface and Volume Properties
  Accessible surface: 449.515  Positive charged surface: 302.184  Negative charged surface: 147.331  Volume: 237.125
  Hydrophobic surface: 273.77  Hydrophilic surface: 175.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.