MMsINC Database Search


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MMsINC code: MMs02491313

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)=119.667 kcal/mol

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

Topological Properties
Globularity: 0.592094	Sterimol/B1: 1.969	Sterimol/B2: 3.22208	Sterimol/B3: 5.76
Sterimol/B4: 5.93166	Sterimol/L: 9.26381

Surface and Volume Properties
Accessible surface: 394.129	Positive charged surface: 327.271	Negative charged surface: 66.8585	Volume: 190.375
Hydrophobic surface: 188.834	Hydrophilic surface: 205.295

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

MMs02491314
NCID-ZINC05732069