MMsINC Database Search


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

MMsINC code: MMs03768043

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

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

InChI:

InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4-,5+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5031 kcal/mol

Physical Properties
Molecular Weight: 164.157 g/mol	logS: 0.7202	SlogP: -2.1938	Reactive groups: 0

Topological Properties
Globularity: 0.275594	Sterimol/B1: 2.92709	Sterimol/B2: 3.18894	Sterimol/B3: 3.4698
Sterimol/B4: 4.92022	Sterimol/L: 8.75526

Surface and Volume Properties
Accessible surface: 327.348	Positive charged surface: 237.618	Negative charged surface: 89.73	Volume: 142
Hydrophobic surface: 124.541	Hydrophilic surface: 202.807

Pharmacophoric Properties
Hydrogen bond donors: 4	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.