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PUBCHEM-ZINC06691876

 MMsINC code: MMs03839430
Type: Neutral
Formula: C10H19NO6
SMILES:   O1C(O)(CN2CCOCC2)C(O)C(O)C1CO
InChI:   InChI=1/C10H19NO6/c12-5-7-8(13)9(14)10(15,17-7)6-11-1-3-16-4-2-11/h7-9,12-15H,1-6H2/t7-,8+,9+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.68281  SlogP: -2.8799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10857  Sterimol/B1: 2.57088  Sterimol/B2: 3.9381  Sterimol/B3: 4.24193
  Sterimol/B4: 5.31358  Sterimol/L: 12.4118 
 
 Surface and Volume Properties
  Accessible surface: 444.663  Positive charged surface: 376.891  Negative charged surface: 67.7718  Volume: 223.125
  Hydrophobic surface: 275.255  Hydrophilic surface: 169.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03839431
PUBCHEM-ZINC06691876