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NCID-ZINC05889031

 MMsINC code: MMs02510354
Type: Neutral
Formula: C13H25NO10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCC1NC(CO)C(O)C(O)C1O
InChI:   InChI=1/C13H25NO10/c15-1-4-7(17)10(20)8(18)5(14-4)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11+,12+,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.34 g/mol  logS: 1.79915  SlogP: -5.7817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0801282  Sterimol/B1: 2.36672  Sterimol/B2: 2.9419  Sterimol/B3: 4.52365
  Sterimol/B4: 7.04574  Sterimol/L: 15.0635 
 
 Surface and Volume Properties
  Accessible surface: 567.26  Positive charged surface: 454.942  Negative charged surface: 112.318  Volume: 300.375
  Hydrophobic surface: 233.631  Hydrophilic surface: 333.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02510355
NCID-ZINC05889031