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PUBCHEM-ZINC00388949

 MMsINC code: MMs02671222
Type: Neutral
Formula: C12H24N2O
SMILES:   O=C(NC1CCCCC1)NC(C(C)C)C
InChI:   InChI=1/C12H24N2O/c1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.38313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.337 g/mol  logS: -2.13343  SlogP: 2.6628  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0752823  Sterimol/B1: 3.05361  Sterimol/B2: 3.54438  Sterimol/B3: 3.7774
  Sterimol/B4: 4.03965  Sterimol/L: 14.8632 
 
 Surface and Volume Properties
  Accessible surface: 471.66  Positive charged surface: 361.418  Negative charged surface: 110.242  Volume: 235.125
  Hydrophobic surface: 364.42  Hydrophilic surface: 107.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.