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PUBCHEM-ZINC05561425

 MMsINC code: MMs03307414
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)=12.7894 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: 0.0269284  Sterimol/B1: 2.4136  Sterimol/B2: 2.58875  Sterimol/B3: 3.4186
  Sterimol/B4: 6.35875  Sterimol/L: 19.3476 
 
 Surface and Volume Properties
  Accessible surface: 580.22  Positive charged surface: 441.396  Negative charged surface: 138.823  Volume: 288.375
  Hydrophobic surface: 486.229  Hydrophilic surface: 93.991
 
 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.