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PUBCHEM-ZINC01412792

 MMsINC code: MMs02802699
Type: Neutral
Formula: C14H22N2O2
SMILES:   O=C1N(CC1)C1(CCCC1)C(=O)NC1CCCC1
InChI:   InChI=1/C14H22N2O2/c17-12-7-10-16(12)14(8-3-4-9-14)13(18)15-11-5-1-2-6-11/h11H,1-10H2,(H,15,18)

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Potential Energy
Epot(MMFF94)=51.2337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.342 g/mol  logS: -1.77229  SlogP: 1.5903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161739  Sterimol/B1: 2.71031  Sterimol/B2: 4.11293  Sterimol/B3: 4.6429
  Sterimol/B4: 5.47496  Sterimol/L: 12.6278 
 
 Surface and Volume Properties
  Accessible surface: 481.373  Positive charged surface: 302.812  Negative charged surface: 113.336  Volume: 254.75
  Hydrophobic surface: 415.135  Hydrophilic surface: 66.238
 
 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.