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PUBCHEM-ZINC05552437

 MMsINC code: MMs03305051
Type: Neutral
Formula: C10H19N
SMILES:   N(CCCC)C1CCCC=C1
InChI:   InChI=1/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h5,7,10-11H,2-4,6,8-9H2,1H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.32203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.65525  SlogP: 2.4848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602899  Sterimol/B1: 2.54624  Sterimol/B2: 3.17586  Sterimol/B3: 3.73699
  Sterimol/B4: 4.0249  Sterimol/L: 13.7039 
 
 Surface and Volume Properties
  Accessible surface: 400.439  Positive charged surface: 313.573  Negative charged surface: 86.8658  Volume: 183.375
  Hydrophobic surface: 335.686  Hydrophilic surface: 64.753
 
 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


MMs03305052
PUBCHEM-ZINC05552437