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ENAMINE-ZINC01586609

 MMsINC code: MMs01242833
Type: Neutral
Formula: C12H23NO2
SMILES:   OC1(CCCCC1)CC(=O)N(CC)CC
InChI:   InChI=1/C12H23NO2/c1-3-13(4-2)11(14)10-12(15)8-6-5-7-9-12/h15H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -1.46206  SlogP: 1.9401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964426  Sterimol/B1: 2.28923  Sterimol/B2: 3.07106  Sterimol/B3: 3.43297
  Sterimol/B4: 6.62215  Sterimol/L: 12.3608 
 
 Surface and Volume Properties
  Accessible surface: 446.308  Positive charged surface: 344.33  Negative charged surface: 101.979  Volume: 231.5
  Hydrophobic surface: 357.195  Hydrophilic surface: 89.113
 
 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.