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NCID-ZINC01672958

 MMsINC code: MMs02308980
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N)CCCCCCCCC=C
InChI:   InChI=1/C11H21NO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H2,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.09719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -3.84739  SlogP: 2.7785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275521  Sterimol/B1: 2.17806  Sterimol/B2: 2.5624  Sterimol/B3: 3.35363
  Sterimol/B4: 3.43807  Sterimol/L: 17.8464 
 
 Surface and Volume Properties
  Accessible surface: 474.299  Positive charged surface: 356.006  Negative charged surface: 118.293  Volume: 213.5
  Hydrophobic surface: 313.567  Hydrophilic surface: 160.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.