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ENAMINE-ZINC05220173

 MMsINC code: MMs01601014
Type: Neutral
Formula: C11H19NO2
SMILES:   O=C(NO)CCCCCCCCC#C
InChI:   InChI=1/C11H19NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12-14/h1,14H,3-10H2,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.5908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -3.4463  SlogP: 2.24581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208333  Sterimol/B1: 2.077  Sterimol/B2: 2.37478  Sterimol/B3: 2.37587
  Sterimol/B4: 4.05327  Sterimol/L: 19.0515 
 
 Surface and Volume Properties
  Accessible surface: 483.52  Positive charged surface: 322.325  Negative charged surface: 161.195  Volume: 218.25
  Hydrophobic surface: 340.04  Hydrophilic surface: 143.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.