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NCID-ZINC04411038

 MMsINC code: MMs02385755
Type: Neutral
Formula: C13H30N2O4
SMILES:   OCCCN(CCCO)CCN(CCCO)CCO
InChI:   InChI=1/C13H30N2O4/c16-10-1-4-14(5-2-11-17)7-8-15(9-13-19)6-3-12-18/h16-19H,1-13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.3523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.393 g/mol  logS: 0.81853  SlogP: -1.2701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251946  Sterimol/B1: 3.90923  Sterimol/B2: 4.8764  Sterimol/B3: 5.68605
  Sterimol/B4: 8.22569  Sterimol/L: 13.6291 
 
 Surface and Volume Properties
  Accessible surface: 599.627  Positive charged surface: 508.214  Negative charged surface: 91.4134  Volume: 293.875
  Hydrophobic surface: 388.239  Hydrophilic surface: 211.388
 
 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


MMs02385756
NCID-ZINC04411038