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NCID-ZINC01675092

 MMsINC code: MMs02310473
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C(N(CC)CC)C1CCN(CC1)C(=O)C
InChI:   InChI=1/C12H22N2O2/c1-4-13(5-2)12(16)11-6-8-14(9-7-11)10(3)15/h11H,4-9H2,1-3H3

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Potential Energy
Epot(MMFF94)=40.4375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -0.69434  SlogP: 1.1133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073904  Sterimol/B1: 2.34066  Sterimol/B2: 3.1429  Sterimol/B3: 3.35436
  Sterimol/B4: 6.2606  Sterimol/L: 14.1767 
 
 Surface and Volume Properties
  Accessible surface: 459.502  Positive charged surface: 336.831  Negative charged surface: 122.671  Volume: 237.125
  Hydrophobic surface: 354.266  Hydrophilic surface: 105.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.