MMsINC Database Search


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

MMsINC code: MMs03177050

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

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

InChI:

InChI=1/C7H14O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3-11H,2H2,1H3/t3-,4+,5-,6+,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2719 kcal/mol

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

Topological Properties
Globularity: 0.149823	Sterimol/B1: 2.12344	Sterimol/B2: 3.10514	Sterimol/B3: 3.26391
Sterimol/B4: 6.77746	Sterimol/L: 10.5874

Surface and Volume Properties
Accessible surface: 383.346	Positive charged surface: 319.472	Negative charged surface: 63.8739	Volume: 169.875
Hydrophobic surface: 206.918	Hydrophilic surface: 176.428

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.