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PUBCHEM-ZINC06050498

 MMsINC code: MMs03515068
Type: Neutral
Formula: C11H18N2O2
SMILES:   OC1NC(=O)C(=CN1C1CCCCC1)C
InChI:   InChI=1/C11H18N2O2/c1-8-7-13(11(15)12-10(8)14)9-5-3-2-4-6-9/h7,9,11,15H,2-6H2,1H3,(H,12,14)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-19.0626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -0.80445  SlogP: 0.9306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184432  Sterimol/B1: 2.19929  Sterimol/B2: 3.15514  Sterimol/B3: 4.05036
  Sterimol/B4: 6.49724  Sterimol/L: 12.0142 
 
 Surface and Volume Properties
  Accessible surface: 423.891  Positive charged surface: 311.453  Negative charged surface: 112.438  Volume: 210.5
  Hydrophobic surface: 308.519  Hydrophilic surface: 115.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.