MMsINC Database Search


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

MMsINC code: MMs02384574

Type: Neutral
Formula: C₈H₁₆O₈

SMILES:

O1C(C(O)C(O)CO)C(O)C(O)C(O)C1O

InChI:

InChI=1/C8H16O8/c9-1-2(10)3(11)7-5(13)4(12)6(14)8(15)16-7/h2-15H,1H2/t2-,3+,4+,5-,6+,7-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.916 kcal/mol

Physical Properties
Molecular Weight: 240.208 g/mol	logS: 1.65503	SlogP: -4.4996	Reactive groups: 0

Topological Properties
Globularity: 0.136368	Sterimol/B1: 3.16139	Sterimol/B2: 3.26286	Sterimol/B3: 3.4986
Sterimol/B4: 5.01701	Sterimol/L: 12.6853

Surface and Volume Properties
Accessible surface: 409.943	Positive charged surface: 321.837	Negative charged surface: 88.1055	Volume: 198.375
Hydrophobic surface: 147.102	Hydrophilic surface: 262.841

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 7

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.