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NCID-ZINC04720807

 MMsINC code: MMs02396698
Type: Neutral
Formula: C14H27NO4
SMILES:   O(C(=O)CCN(CCCC)CCC(OCC)=O)CC
InChI:   InChI=1/C14H27NO4/c1-4-7-10-15(11-8-13(16)18-5-2)12-9-14(17)19-6-3/h4-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.1316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.373 g/mol  logS: -1.76723  SlogP: 1.9949  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0469311  Sterimol/B1: 2.46673  Sterimol/B2: 2.57376  Sterimol/B3: 3.70244
  Sterimol/B4: 11.1822  Sterimol/L: 17.5063 
 
 Surface and Volume Properties
  Accessible surface: 613.166  Positive charged surface: 465.174  Negative charged surface: 147.991  Volume: 291.375
  Hydrophobic surface: 461.315  Hydrophilic surface: 151.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02396699
NCID-ZINC04720807