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CHEMBRIDGE-ZINC03900506

 MMsINC code: MMs00757102
Type: Neutral
Formula: C14H28N2O4
SMILES:   O1CCN(CCOCCOCC1)C(=O)C(N)CC(C)C
InChI:   InChI=1/C14H28N2O4/c1-12(2)11-13(15)14(17)16-3-5-18-7-9-20-10-8-19-6-4-16/h12-13H,3-11,15H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=125.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -1.48466  SlogP: 0.2518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117703  Sterimol/B1: 3.41018  Sterimol/B2: 3.83601  Sterimol/B3: 4.00423
  Sterimol/B4: 6.48359  Sterimol/L: 14.8495 
 
 Surface and Volume Properties
  Accessible surface: 511.632  Positive charged surface: 424.396  Negative charged surface: 87.2357  Volume: 294.875
  Hydrophobic surface: 383.932  Hydrophilic surface: 127.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00757103
CHEMBRIDGE-ZINC03900506