MMsINC Database Search


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MMsINC code: MMs00015739

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

O1CC(O)C(O)C(O)C1(O)CO

InChI:

InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/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)=65.9559 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.07472	SlogP: -3.2198	Reactive groups: 0

Topological Properties
Globularity: 0.230865	Sterimol/B1: 2.47091	Sterimol/B2: 3.05256	Sterimol/B3: 3.60311
Sterimol/B4: 6.04027	Sterimol/L: 9.98105

Surface and Volume Properties
Accessible surface: 341.927	Positive charged surface: 266.282	Negative charged surface: 75.6453	Volume: 148.5
Hydrophobic surface: 126.803	Hydrophilic surface: 215.124

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.