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PUBCHEM-ZINC00355250

 MMsINC code: MMs02661626
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(NC1CC(CC(C1)C)(C)C)C1CCC1
InChI:   InChI=1/C14H25NO/c1-10-7-12(9-14(2,3)8-10)15-13(16)11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16)/t10-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=72.7143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.60399  SlogP: 3.1175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188392  Sterimol/B1: 2.56147  Sterimol/B2: 2.69111  Sterimol/B3: 4.7819
  Sterimol/B4: 6.38093  Sterimol/L: 12.3958 
 
 Surface and Volume Properties
  Accessible surface: 446.854  Positive charged surface: 223.033  Negative charged surface: 73.0049  Volume: 245.5
  Hydrophobic surface: 375.305  Hydrophilic surface: 71.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.