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PUBCHEM-ZINC05840049

 MMsINC code: MMs03410252
Type: Neutral
Formula: C10H19NO
SMILES:   OCN(C1CCC1)C1CCCC1
InChI:   InChI=1/C10H19NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h9-10,12H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.70146  SlogP: 1.7333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119651  Sterimol/B1: 2.50771  Sterimol/B2: 2.961  Sterimol/B3: 2.97086
  Sterimol/B4: 6.21386  Sterimol/L: 10.6514 
 
 Surface and Volume Properties
  Accessible surface: 382.741  Positive charged surface: 201.201  Negative charged surface: 41.9234  Volume: 187.75
  Hydrophobic surface: 331.096  Hydrophilic surface: 51.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.