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NCID-ZINC01684761

 MMsINC code: MMs02318085
Type: Neutral
Formula: C14H29NO2
SMILES:   O(C(=O)CN(CCCCC)CCCCC)CC
InChI:   InChI=1/C14H29NO2/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)17-6-3/h4-13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.391 g/mol  logS: -3.34265  SlogP: 3.2319  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0653424  Sterimol/B1: 2.98102  Sterimol/B2: 3.28699  Sterimol/B3: 6.46056
  Sterimol/B4: 8.5183  Sterimol/L: 14.6477 
 
 Surface and Volume Properties
  Accessible surface: 585.853  Positive charged surface: 467.33  Negative charged surface: 118.522  Volume: 282.875
  Hydrophobic surface: 483.148  Hydrophilic surface: 102.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02318086
NCID-ZINC01684761