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NCID-ZINC05125072

 MMsINC code: MMs02444185
Type: Neutral
Formula: C14H27NO9
SMILES:   O1C(CO)C(O)C(O)C(NC)C1OC1C(O)(CO)C(OC1OC)C
InChI:   InChI=1/C14H27NO9/c1-6-14(20,5-17)11(13(21-3)22-6)24-12-8(15-2)10(19)9(18)7(4-16)23-12/h6-13,15-20H,4-5H2,1-3H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=176.48 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.368 g/mol  logS: 0.69831  SlogP: -3.4868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186967  Sterimol/B1: 3.55369  Sterimol/B2: 4.43845  Sterimol/B3: 4.65286
  Sterimol/B4: 5.97084  Sterimol/L: 13.0559 
 
 Surface and Volume Properties
  Accessible surface: 546.794  Positive charged surface: 466.533  Negative charged surface: 80.2606  Volume: 315
  Hydrophobic surface: 321.911  Hydrophilic surface: 224.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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


MMs02444186
NCID-ZINC05125072