MMsINC Database Search


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MMsINC code: MMs03177169

Type: Neutral
Formula: C₈H₁₆O₆

SMILES:

O1C(COC)C(OC)C(O)C(O)C1O

InChI:

InChI=1/C8H16O6/c1-12-3-4-7(13-2)5(9)6(10)8(11)14-4/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)=72.425 kcal/mol

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

Topological Properties
Globularity: 0.131848	Sterimol/B1: 3.22868	Sterimol/B2: 3.28997	Sterimol/B3: 3.30613
Sterimol/B4: 6.45566	Sterimol/L: 11.5756

Surface and Volume Properties
Accessible surface: 407.032	Positive charged surface: 351.558	Negative charged surface: 55.4745	Volume: 187.5
Hydrophobic surface: 264.837	Hydrophilic surface: 142.195

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.