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NCID-ZINC01722645

 MMsINC code: MMs02347085
Type: Neutral
Formula: C14H24N+
SMILES:   [NH+]1(CC2(C3CC4CC2CC(C3)C4)CC1)C
InChI:   InChI=1/C14H23N/c1-15-3-2-14(9-15)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,2-9H2,1H3/p+1/t10-,11+,12-,13+,14-

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Potential Energy
Epot(MMFF94)=49.3908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.353 g/mol  logS: -3.72038  SlogP: 1.3473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.296336  Sterimol/B1: 2.84435  Sterimol/B2: 3.59877  Sterimol/B3: 4.21953
  Sterimol/B4: 4.99304  Sterimol/L: 11.3105 
 
 Surface and Volume Properties
  Accessible surface: 399.71  Positive charged surface: 360.361  Negative charged surface: 39.3489  Volume: 230.5
  Hydrophobic surface: 353.586  Hydrophilic surface: 46.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs02347086
NCID-ZINC01722645