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PUBCHEM-ZINC05819709

 MMsINC code: MMs03398813
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=C(N)C1CCCN(C1)C(=O)C(CCC)CCC
InChI:   InChI=1/C14H26N2O2/c1-3-6-11(7-4-2)14(18)16-9-5-8-12(10-16)13(15)17/h11-12H,3-10H2,1-2H3,(H2,15,17)/t12-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.9181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.71632  SlogP: 1.9267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133729  Sterimol/B1: 1.969  Sterimol/B2: 2.56998  Sterimol/B3: 4.80069
  Sterimol/B4: 6.90758  Sterimol/L: 15.2631 
 
 Surface and Volume Properties
  Accessible surface: 495.306  Positive charged surface: 362.684  Negative charged surface: 132.622  Volume: 269.875
  Hydrophobic surface: 326.1  Hydrophilic surface: 169.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.