MMsINC Database Search


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

MMsINC code: MMs03221127

Type: Neutral
Formula: C₆H₁₄O₆

SMILES:

OC(C(O)C(O)CO)C(O)CO

InChI:

InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9506 kcal/mol

Physical Properties
Molecular Weight: 182.172 g/mol	logS: 1.6247	SlogP: -3.5854	Reactive groups: 0

Topological Properties
Globularity: 0.112195	Sterimol/B1: 2.58638	Sterimol/B2: 2.80607	Sterimol/B3: 3.16023
Sterimol/B4: 3.4834	Sterimol/L: 12.8475

Surface and Volume Properties
Accessible surface: 355.268	Positive charged surface: 262.815	Negative charged surface: 92.4531	Volume: 159.875
Hydrophobic surface: 141.44	Hydrophilic surface: 213.828

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.