MMsINC Database Search


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MMsINC code: MMs03090037

Type: Neutral
Formula: C₆H₁₀O₆

SMILES:

O1C(CO)C(O)C(=O)C(O)C1O

InChI:

InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6243 kcal/mol

Physical Properties
Molecular Weight: 178.14 g/mol	logS: 0.71606	SlogP: -3.0132	Reactive groups: 0

Topological Properties
Globularity: 0.147301	Sterimol/B1: 2.9445	Sterimol/B2: 2.991	Sterimol/B3: 3.86204
Sterimol/B4: 4.51539	Sterimol/L: 10.3878

Surface and Volume Properties
Accessible surface: 343.407	Positive charged surface: 235.969	Negative charged surface: 107.438	Volume: 143.25
Hydrophobic surface: 104.379	Hydrophilic surface: 239.028

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.