MMsINC Database Search


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MMsINC code: MMs03089531

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

O1CC(O)C(O)C(O)(CO)C1O

InChI:

InChI=1/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6282 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.24995	SlogP: -3.2198	Reactive groups: 0

Topological Properties
Globularity: 0.296395	Sterimol/B1: 2.98928	Sterimol/B2: 3.0449	Sterimol/B3: 3.6199
Sterimol/B4: 5.14269	Sterimol/L: 9.59507

Surface and Volume Properties
Accessible surface: 335.733	Positive charged surface: 269.594	Negative charged surface: 66.1393	Volume: 149.25
Hydrophobic surface: 123.759	Hydrophilic surface: 211.974

Pharmacophoric Properties
Hydrogen bond donors: 5	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.