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CHEMBRIDGE-ZINC03895600

 MMsINC code: MMs00756787
Type: Neutral
Formula: C14H26N+
SMILES:   [NH+](C(C)C12CC3CC(C1)CC(C2)C3)(C)C
InChI:   InChI=1/C14H25N/c1-10(15(2)3)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,4-9H2,1-3H3/p+1/t10-,11-,12+,13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.7999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.369 g/mol  logS: -3.50897  SlogP: 1.7358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281379  Sterimol/B1: 2.20153  Sterimol/B2: 3.48785  Sterimol/B3: 4.41782
  Sterimol/B4: 5.7974  Sterimol/L: 10.9354 
 
 Surface and Volume Properties
  Accessible surface: 418.923  Positive charged surface: 370.379  Negative charged surface: 48.5444  Volume: 240.375
  Hydrophobic surface: 363.158  Hydrophilic surface: 55.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00756788
CHEMBRIDGE-ZINC03895600