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PUBCHEM-ZINC05649303

 MMsINC code: MMs03335389
Type: Neutral
Formula: C14H25N
SMILES:   NC(CCC)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C14H25N/c1-2-3-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13H,2-9,15H2,1H3/t10-,11+,12-,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=41.4952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -4.04382  SlogP: 3.3302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199673  Sterimol/B1: 3.08442  Sterimol/B2: 3.86812  Sterimol/B3: 3.99125
  Sterimol/B4: 4.96456  Sterimol/L: 12.4811 
 
 Surface and Volume Properties
  Accessible surface: 422.159  Positive charged surface: 342.426  Negative charged surface: 79.7335  Volume: 231.375
  Hydrophobic surface: 359.722  Hydrophilic surface: 62.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03335390
PUBCHEM-ZINC05649303