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PUBCHEM-ZINC06451714

 MMsINC code: MMs03740633
Type: Neutral
Formula: C10H19N
SMILES:   N(C)(C)C1CCCC=CCC1
InChI:   InChI=1/C10H19N/c1-11(2)10-8-6-4-3-5-7-9-10/h3-4,10H,5-9H2,1-2H3/b4-3+/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.0772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -0.82569  SlogP: 2.4369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273798  Sterimol/B1: 2.22616  Sterimol/B2: 3.24614  Sterimol/B3: 4.71396
  Sterimol/B4: 5.44979  Sterimol/L: 10.1014 
 
 Surface and Volume Properties
  Accessible surface: 359.664  Positive charged surface: 300.078  Negative charged surface: 59.5851  Volume: 180
  Hydrophobic surface: 339.003  Hydrophilic surface: 20.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03740634
PUBCHEM-ZINC06451714