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NCID-ZINC05889020

 MMsINC code: MMs02510348
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.368 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: 0.0610563  Sterimol/B1: 3.18013  Sterimol/B2: 3.26287  Sterimol/B3: 3.26637
  Sterimol/B4: 7.7293  Sterimol/L: 14.2194 
 
 Surface and Volume Properties
  Accessible surface: 581.834  Positive charged surface: 473.868  Negative charged surface: 107.966  Volume: 300.875
  Hydrophobic surface: 250.2  Hydrophilic surface: 331.634
 
 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


MMs02510349
NCID-ZINC05889020