MMsINC Database Search


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MMsINC code: MMs02491317

Type: Neutral
Formula: C₈H₁₆O₇

SMILES:

O1C(OC)(CO)C(O)C(O)C(O)C1CO

InChI:

InChI=1/C8H16O7/c1-14-8(3-10)7(13)6(12)5(11)4(2-9)15-8/h4-7,9-13H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.951 kcal/mol

Physical Properties
Molecular Weight: 224.209 g/mol	logS: 0.93208	SlogP: -3.2048	Reactive groups: 0

Topological Properties
Globularity: 0.522899	Sterimol/B1: 1.969	Sterimol/B2: 2.30596	Sterimol/B3: 6.17921
Sterimol/B4: 6.73731	Sterimol/L: 9.77788

Surface and Volume Properties
Accessible surface: 397.688	Positive charged surface: 318.797	Negative charged surface: 78.891	Volume: 191.125
Hydrophobic surface: 177.786	Hydrophilic surface: 219.902

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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

MMs02491318
NCID-ZINC05732072