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CHEMBRIDGE-ZINC02562490

 MMsINC code: MMs00712302
Type: Neutral
Formula: C10H21NO2
SMILES:   OC(=O)CCCCCCCCCN
InChI:   InChI=1/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.32321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.82585  SlogP: 2.1505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244134  Sterimol/B1: 2.23557  Sterimol/B2: 2.46451  Sterimol/B3: 2.51636
  Sterimol/B4: 3.74098  Sterimol/L: 17.8616 
 
 Surface and Volume Properties
  Accessible surface: 461.029  Positive charged surface: 366.073  Negative charged surface: 94.9553  Volume: 206.75
  Hydrophobic surface: 295.643  Hydrophilic surface: 165.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.