MMsINC Database Search


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

MMsINC code: MMs03091786

Type: Neutral
Formula: C₈H₁₆O₅

SMILES:

O1C(C)C(O)C(OC)C(OC)C1O

InChI:

InChI=1/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6-,7-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1686 kcal/mol

Physical Properties
Molecular Weight: 192.211 g/mol	logS: 0.02984	SlogP: -0.8856	Reactive groups: 0

Topological Properties
Globularity: 0.178182	Sterimol/B1: 2.45417	Sterimol/B2: 3.14337	Sterimol/B3: 3.31911
Sterimol/B4: 6.70316	Sterimol/L: 11.0313

Surface and Volume Properties
Accessible surface: 385.868	Positive charged surface: 329.599	Negative charged surface: 56.2695	Volume: 179.375
Hydrophobic surface: 272.855	Hydrophilic surface: 113.013

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.