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NCID-ZINC05064691

 MMsINC code: MMs02436189
Type: Neutral
Formula: C10H20N+
SMILES:   [NH3+]C\C=C(\CCC=C(C)C)/C
InChI:   InChI=1/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8,11H2,1-3H3/p+1/b10-7-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.53528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -2.2684  SlogP: 1.921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757467  Sterimol/B1: 2.40237  Sterimol/B2: 3.26886  Sterimol/B3: 3.52535
  Sterimol/B4: 4.85575  Sterimol/L: 12.1097 
 
 Surface and Volume Properties
  Accessible surface: 419.382  Positive charged surface: 317.077  Negative charged surface: 102.306  Volume: 194.375
  Hydrophobic surface: 313.523  Hydrophilic surface: 105.859
 
 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


MMs02436190
NCID-ZINC05064691