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NCID-ZINC01673747

 MMsINC code: MMs02309559
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(N)C1CCC(CC1)CC1CCCCC1
InChI:   InChI=1/C14H25NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2,(H2,15,16)/t12-,13+

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Potential Energy
Epot(MMFF94)=29.8023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -5.22812  SlogP: 3.2485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145256  Sterimol/B1: 3.19444  Sterimol/B2: 3.8247  Sterimol/B3: 3.84147
  Sterimol/B4: 3.95347  Sterimol/L: 13.2154 
 
 Surface and Volume Properties
  Accessible surface: 452.365  Positive charged surface: 358.284  Negative charged surface: 94.0808  Volume: 244.75
  Hydrophobic surface: 365.339  Hydrophilic surface: 87.026
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.