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PUBCHEM-ZINC05420195

 MMsINC code: MMs03263681
Type: Neutral
Formula: C14H25NO2
SMILES:   O=C(NO)C(CC)C=1CCC(CC=1)CC(C)C
InChI:   InChI=1/C14H25NO2/c1-4-13(14(16)15-17)12-7-5-11(6-8-12)9-10(2)3/h7,10-11,13,17H,4-6,8-9H2,1-3H3,(H,15,16)/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=65.0411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -4.41771  SlogP: 3.2906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943606  Sterimol/B1: 2.23884  Sterimol/B2: 3.3905  Sterimol/B3: 4.15827
  Sterimol/B4: 7.26204  Sterimol/L: 14.5696 
 
 Surface and Volume Properties
  Accessible surface: 490.688  Positive charged surface: 348.18  Negative charged surface: 142.508  Volume: 259.75
  Hydrophobic surface: 310.308  Hydrophilic surface: 180.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.