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NCID-ZINC01733511

 MMsINC code: MMs02355953
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(N(CCC)CCC)CCCC
InChI:   InChI=1/C11H23NO/c1-4-7-8-11(13)12(9-5-2)10-6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.54178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.95465  SlogP: 2.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712068  Sterimol/B1: 2.89994  Sterimol/B2: 2.92813  Sterimol/B3: 3.42876
  Sterimol/B4: 6.98174  Sterimol/L: 13.8223 
 
 Surface and Volume Properties
  Accessible surface: 460.685  Positive charged surface: 351.561  Negative charged surface: 109.124  Volume: 219.875
  Hydrophobic surface: 367.053  Hydrophilic surface: 93.632
 
 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.