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NCID-ZINC01733473

 MMsINC code: MMs02355931
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(N(CC)CC)CCCCCC
InChI:   InChI=1/C11H23NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.81966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.58155  SlogP: 2.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485353  Sterimol/B1: 2.88443  Sterimol/B2: 2.98018  Sterimol/B3: 3.67759
  Sterimol/B4: 5.08022  Sterimol/L: 14.9938 
 
 Surface and Volume Properties
  Accessible surface: 459.332  Positive charged surface: 357.796  Negative charged surface: 101.536  Volume: 220
  Hydrophobic surface: 368.344  Hydrophilic surface: 90.988
 
 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.