MMsINC Database Search


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

MMsINC code: MMs00025618

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

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

InChI:

InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8671 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 0.90477	SlogP: -2.5673	Reactive groups: 0

Topological Properties
Globularity: 0.249928	Sterimol/B1: 1.99071	Sterimol/B2: 2.69461	Sterimol/B3: 3.91346
Sterimol/B4: 6.81641	Sterimol/L: 9.8259

Surface and Volume Properties
Accessible surface: 366.613	Positive charged surface: 305.728	Negative charged surface: 60.8845	Volume: 168.5
Hydrophobic surface: 188.091	Hydrophilic surface: 178.522

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.