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NCID-ZINC01680721

 MMsINC code: MMs02314832
Type: Neutral
Formula: C15H29NO
SMILES:   O=C(N(CC)CC)CCCCCCC\C=C/C
InChI:   InChI=1/C15H29NO/c1-4-7-8-9-10-11-12-13-14-15(17)16(5-2)6-3/h4,7H,5-6,8-14H2,1-3H3/b7-4-

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Potential Energy
Epot(MMFF94)=17.8277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.403 g/mol  logS: -4.10501  SlogP: 4.1616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410797  Sterimol/B1: 2.41477  Sterimol/B2: 3.12943  Sterimol/B3: 3.71195
  Sterimol/B4: 6.35519  Sterimol/L: 18.3756 
 
 Surface and Volume Properties
  Accessible surface: 572.385  Positive charged surface: 430.988  Negative charged surface: 141.397  Volume: 284.5
  Hydrophobic surface: 473.019  Hydrophilic surface: 99.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.