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NCID-ZINC05029367

 MMsINC code: MMs02430089
Type: Neutral
Formula: C10H18N2O2
SMILES:   OC1C2N(CCCC2CCC1)C(=O)N
InChI:   InChI=1/C10H18N2O2/c11-10(14)12-6-2-4-7-3-1-5-8(13)9(7)12/h7-9,13H,1-6H2,(H2,11,14)/t7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=47.0987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.78465  SlogP: 0.6905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1351  Sterimol/B1: 2.5577  Sterimol/B2: 3.49326  Sterimol/B3: 4.52756
  Sterimol/B4: 4.77232  Sterimol/L: 10.4602 
 
 Surface and Volume Properties
  Accessible surface: 378.396  Positive charged surface: 308.299  Negative charged surface: 70.0973  Volume: 193
  Hydrophobic surface: 261.1  Hydrophilic surface: 117.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.