MMsINC Database Search


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MMsINC code: MMs02381357

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

O1C(CO)C(O)C(O)C1CO

InChI:

InChI=1/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4+,5+,6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7773 kcal/mol

Physical Properties
Molecular Weight: 164.157 g/mol	logS: 0.92814	SlogP: -2.5398	Reactive groups: 0

Topological Properties
Globularity: 0.155972	Sterimol/B1: 2.55583	Sterimol/B2: 3.12234	Sterimol/B3: 3.3595
Sterimol/B4: 4.07172	Sterimol/L: 9.7233

Surface and Volume Properties
Accessible surface: 338.602	Positive charged surface: 260.65	Negative charged surface: 77.9524	Volume: 144
Hydrophobic surface: 148.104	Hydrophilic surface: 190.498

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.