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PUBCHEM-ZINC06039130

 MMsINC code: MMs03508288
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(N(CCC)CCC)CCC
InChI:   InChI=1/C10H21NO/c1-4-7-10(12)11(8-5-2)9-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.52637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.43943  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936039  Sterimol/B1: 2.6859  Sterimol/B2: 2.78263  Sterimol/B3: 3.15501
  Sterimol/B4: 7.13713  Sterimol/L: 12.4956 
 
 Surface and Volume Properties
  Accessible surface: 434.01  Positive charged surface: 326.208  Negative charged surface: 107.801  Volume: 203.25
  Hydrophobic surface: 338.007  Hydrophilic surface: 96.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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: no related molecules available.