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NCID-ZINC05217441

 MMsINC code: MMs02449826
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CCCCCC1)CCCC
InChI:   InChI=1/C11H21NO/c1-2-3-8-11(13)12-9-6-4-5-7-10-12/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.9452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.85261  SlogP: 2.5792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10061  Sterimol/B1: 2.87061  Sterimol/B2: 3.69128  Sterimol/B3: 3.86937
  Sterimol/B4: 4.39348  Sterimol/L: 13.1525 
 
 Surface and Volume Properties
  Accessible surface: 418.083  Positive charged surface: 333.761  Negative charged surface: 84.3218  Volume: 205.875
  Hydrophobic surface: 370.356  Hydrophilic surface: 47.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.