MMsINC Database Search


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

MMsINC code: MMs02452687

Type: Neutral
Formula: C₈H₁₆O₆

SMILES:

O1C(CO)C(O)C(O)C(O)C1OCC

InChI:

InChI=1/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,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)=59.179 kcal/mol

Physical Properties
Molecular Weight: 208.21 g/mol	logS: 0.57756	SlogP: -2.1772	Reactive groups: 0

Topological Properties
Globularity: 0.114787	Sterimol/B1: 2.83159	Sterimol/B2: 3.41357	Sterimol/B3: 5.16394
Sterimol/B4: 5.17949	Sterimol/L: 11.084

Surface and Volume Properties
Accessible surface: 410.137	Positive charged surface: 319.756	Negative charged surface: 90.3813	Volume: 185.875
Hydrophobic surface: 208.628	Hydrophilic surface: 201.509

Pharmacophoric Properties
Hydrogen bond donors: 4	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.