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PUBCHEM-ZINC05664827

 MMsINC code: MMs03339780
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CCCCC1C)C(CC)C
InChI:   InChI=1/C11H21NO/c1-4-9(2)11(13)12-8-6-5-7-10(12)3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.6646  SlogP: 2.4335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151291  Sterimol/B1: 2.34608  Sterimol/B2: 4.15994  Sterimol/B3: 4.42804
  Sterimol/B4: 4.69905  Sterimol/L: 11.7388 
 
 Surface and Volume Properties
  Accessible surface: 406.187  Positive charged surface: 312.175  Negative charged surface: 94.0114  Volume: 206
  Hydrophobic surface: 336.203  Hydrophilic surface: 69.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.