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PUBCHEM-ZINC04531019

 MMsINC code: MMs03129772
Type: Neutral
Formula: C10H19NO7
SMILES:   O1C(CO)C(O)C(O)C(NC(OCC)=O)C1OC
InChI:   InChI=1/C10H19NO7/c1-3-17-10(15)11-6-8(14)7(13)5(4-12)18-9(6)16-2/h5-9,12-14H,3-4H2,1-2H3,(H,11,15)/t5-,6+,7+,8+,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.5894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.262 g/mol  logS: 0.12563  SlogP: -1.8135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198223  Sterimol/B1: 2.66505  Sterimol/B2: 3.83007  Sterimol/B3: 5.60606
  Sterimol/B4: 6.02129  Sterimol/L: 13.8471 
 
 Surface and Volume Properties
  Accessible surface: 493.384  Positive charged surface: 396.807  Negative charged surface: 96.5771  Volume: 234.875
  Hydrophobic surface: 290.259  Hydrophilic surface: 203.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.