MMsINC Database Search


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MMsINC code: MMs00008166

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

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

InChI:

InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9776 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.24995	SlogP: -3.2214	Reactive groups: 0

Topological Properties
Globularity: 0.216843	Sterimol/B1: 3.21243	Sterimol/B2: 3.51176	Sterimol/B3: 3.73001
Sterimol/B4: 4.43132	Sterimol/L: 10.2832

Surface and Volume Properties
Accessible surface: 346.546	Positive charged surface: 263.186	Negative charged surface: 83.3597	Volume: 149.375
Hydrophobic surface: 113.702	Hydrophilic surface: 232.844

Pharmacophoric Properties
Hydrogen bond donors: 5	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.