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PUBCHEM-ZINC04650997

 MMsINC code: MMs03146296
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(NCCC=1CCCCC=1)CC(C)(C)C
InChI:   InChI=1/C14H25NO/c1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12/h7H,4-6,8-11H2,1-3H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=38.6473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.48525  SlogP: 3.4293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687517  Sterimol/B1: 2.19833  Sterimol/B2: 3.03431  Sterimol/B3: 4.10461
  Sterimol/B4: 5.20028  Sterimol/L: 15.9774 
 
 Surface and Volume Properties
  Accessible surface: 502.259  Positive charged surface: 378.848  Negative charged surface: 123.411  Volume: 255.75
  Hydrophobic surface: 402.862  Hydrophilic surface: 99.397
 
 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.