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NCID-ZINC04429887

 MMsINC code: MMs02387824
Type: Neutral
Formula: C14H32N2O4
SMILES:   OCCN(CCCCCCN(CCO)CCO)CCO
InChI:   InChI=1/C14H32N2O4/c17-11-7-15(8-12-18)5-3-1-2-4-6-16(9-13-19)10-14-20/h17-20H,1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.1668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.42 g/mol  logS: 0.61676  SlogP: -0.88  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514307  Sterimol/B1: 2.76657  Sterimol/B2: 4.17435  Sterimol/B3: 4.39201
  Sterimol/B4: 4.45581  Sterimol/L: 17.9869 
 
 Surface and Volume Properties
  Accessible surface: 607.998  Positive charged surface: 551.828  Negative charged surface: 56.1704  Volume: 308.375
  Hydrophobic surface: 432.735  Hydrophilic surface: 175.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02387825
NCID-ZINC04429887