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ASINEX-ZINC04672426

 MMsINC code: MMs00358966
Type: Neutral
Formula: C11H26N2O7
SMILES:   OC(CNC(CO)(CO)CO)CNC(CO)(CO)CO
InChI:   InChI=1/C11H26N2O7/c14-3-10(4-15,5-16)12-1-9(20)2-13-11(6-17,7-18)8-19/h9,12-20H,1-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.336 g/mol  logS: 2.29336  SlogP: -5.0421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075349  Sterimol/B1: 3.15757  Sterimol/B2: 3.36468  Sterimol/B3: 4.46702
  Sterimol/B4: 4.63941  Sterimol/L: 16.4107 
 
 Surface and Volume Properties
  Accessible surface: 543.367  Positive charged surface: 458.515  Negative charged surface: 84.8518  Volume: 277.125
  Hydrophobic surface: 226.959  Hydrophilic surface: 316.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 9  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00358967
ASINEX-ZINC04672426