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NCID-ZINC01618005

 MMsINC code: MMs02266956
Type: Neutral
Formula: C14H24N2O4
SMILES:   OCCN(CCO)c1cc(N(CCO)CCO)ccc1
InChI:   InChI=1/C14H24N2O4/c17-8-4-15(5-9-18)13-2-1-3-14(12-13)16(6-10-19)7-11-20/h1-3,12,17-20H,4-11H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -0.42954  SlogP: -0.7314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200361  Sterimol/B1: 2.56479  Sterimol/B2: 4.57357  Sterimol/B3: 4.57763
  Sterimol/B4: 7.32213  Sterimol/L: 13.1879 
 
 Surface and Volume Properties
  Accessible surface: 525.839  Positive charged surface: 440.016  Negative charged surface: 85.8232  Volume: 282.25
  Hydrophobic surface: 325.566  Hydrophilic surface: 200.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.