MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02491305

Type: Neutral
Formula: C₈H₁₆O₆

SMILES:

O1C(CO)C(OC)C(O)C(O)C1OC

InChI:

InChI=1/C8H16O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-11H,3H2,1-2H3/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)=81.5291 kcal/mol

Physical Properties
Molecular Weight: 208.21 g/mol	logS: 0.55959	SlogP: -1.9132	Reactive groups: 0

Topological Properties
Globularity: 0.198643	Sterimol/B1: 2.53921	Sterimol/B2: 4.13163	Sterimol/B3: 4.46908
Sterimol/B4: 5.91185	Sterimol/L: 11.2298

Surface and Volume Properties
Accessible surface: 401.442	Positive charged surface: 356.635	Negative charged surface: 44.8077	Volume: 186.875
Hydrophobic surface: 265.969	Hydrophilic surface: 135.473

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.