MMsINC Database Search


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MMsINC code: MMs03267084

Type: Neutral
Formula: C₁₂H₂₀O₁₀

SMILES:

O1C(CO)C(O)C(O)C12OC1C(O)C(OC1(OC2)CO)CO

InChI:

InChI=1/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.259 kcal/mol

Physical Properties
Molecular Weight: 324.282 g/mol	logS: 0.4957	SlogP: -4.3484	Reactive groups: 0

Topological Properties
Globularity: 0.171834	Sterimol/B1: 2.15396	Sterimol/B2: 3.99482	Sterimol/B3: 5.50872
Sterimol/B4: 5.95583	Sterimol/L: 12.3116

Surface and Volume Properties
Accessible surface: 518.646	Positive charged surface: 397.716	Negative charged surface: 120.93	Volume: 264.5
Hydrophobic surface: 210.886	Hydrophilic surface: 307.76

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 10	Acid groups: 0	Basic groups: 0
Chiral centers: 8

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

MMs03267085
PUBCHEM-ZINC05426437