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ENAMINE-ZINC04218862

 MMsINC code: MMs01535920
Type: Neutral
Formula: C10H20N+
SMILES:   [NH3+]C1CC2C(CC1)CCCC2
InChI:   InChI=1/C10H19N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7,11H2/p+1/t8-,9+,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.0382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.277 g/mol  logS: -2.68749  SlogP: 1.5872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185781  Sterimol/B1: 2.45657  Sterimol/B2: 3.69412  Sterimol/B3: 3.80591
  Sterimol/B4: 4.31101  Sterimol/L: 10.7408 
 
 Surface and Volume Properties
  Accessible surface: 357.484  Positive charged surface: 317.837  Negative charged surface: 39.6468  Volume: 179.625
  Hydrophobic surface: 290.175  Hydrophilic surface: 67.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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


MMs01535921
ENAMINE-ZINC04218862