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PUBCHEM-ZINC05476865

 MMsINC code: MMs03280427
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CCCCC1CC)CC
InChI:   InChI=1/C10H19NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h9H,3-8H2,1-2H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.0361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.14938  SlogP: 2.1875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118579  Sterimol/B1: 2.55091  Sterimol/B2: 3.04544  Sterimol/B3: 3.11384
  Sterimol/B4: 7.43115  Sterimol/L: 10.7168 
 
 Surface and Volume Properties
  Accessible surface: 385.979  Positive charged surface: 304.172  Negative charged surface: 81.8078  Volume: 188.25
  Hydrophobic surface: 325.259  Hydrophilic surface: 60.72
 
 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: no related molecules available.