MMsINC Database Search


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MMsINC code: MMs02491306

Type: Neutral
Formula: C₈H₁₆O₆

SMILES:

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

InChI:

InChI=1/C8H16O6/c1-12-7-4(3-9)14-8(13-2)6(11)5(7)10/h4-11H,3H2,1-2H3/t4-,5-,6+,7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.116 kcal/mol

Physical Properties
Molecular Weight: 208.21 g/mol	logS: 0.55959	SlogP: -1.9132	Reactive groups: 0

Topological Properties
Globularity: 0.120185	Sterimol/B1: 3.14252	Sterimol/B2: 3.25414	Sterimol/B3: 4.42414
Sterimol/B4: 5.78535	Sterimol/L: 12.3163

Surface and Volume Properties
Accessible surface: 408.262	Positive charged surface: 354.775	Negative charged surface: 53.4864	Volume: 186.625
Hydrophobic surface: 265.351	Hydrophilic surface: 142.911

Pharmacophoric Properties
Hydrogen bond donors: 3	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

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Ions/Tautomers related molecules: no related molecules available.