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NCID-ZINC01597365

 MMsINC code: MMs02251238
Type: Neutral
Formula: C11H23NO
SMILES:   O=CN(CCCCC)CCCCC
InChI:   InChI=1/C11H23NO/c1-3-5-7-9-12(11-13)10-8-6-4-2/h11H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.33224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.67224  SlogP: 2.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524178  Sterimol/B1: 2.44371  Sterimol/B2: 2.89172  Sterimol/B3: 3.11344
  Sterimol/B4: 6.47024  Sterimol/L: 15.8002 
 
 Surface and Volume Properties
  Accessible surface: 474.324  Positive charged surface: 372.352  Negative charged surface: 101.972  Volume: 221.75
  Hydrophobic surface: 375.84  Hydrophilic surface: 98.484
 
 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.