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PUBCHEM-ZINC06734604

 MMsINC code: MMs03849273
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C(N(C)C)CC1(CCCC1)CC(=O)NC
InChI:   InChI=1/C12H22N2O2/c1-13-10(15)8-12(6-4-5-7-12)9-11(16)14(2)3/h4-9H2,1-3H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=45.6533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -1.75414  SlogP: 1.1612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237357  Sterimol/B1: 2.1992  Sterimol/B2: 3.38444  Sterimol/B3: 3.57711
  Sterimol/B4: 9.01491  Sterimol/L: 11.2145 
 
 Surface and Volume Properties
  Accessible surface: 466.497  Positive charged surface: 410.05  Negative charged surface: 56.4469  Volume: 237.375
  Hydrophobic surface: 414.666  Hydrophilic surface: 51.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.