MMsINC Database Search


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MMsINC code: MMs03417011

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

O1CC(O)C(O)C(O)C1CO

InChI:

InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,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)=59.4772 kcal/mol

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

Topological Properties
Globularity: 0.180606	Sterimol/B1: 2.47866	Sterimol/B2: 2.57368	Sterimol/B3: 3.71078
Sterimol/B4: 5.9936	Sterimol/L: 9.95424

Surface and Volume Properties
Accessible surface: 336.339	Positive charged surface: 266.146	Negative charged surface: 70.1927	Volume: 142.75
Hydrophobic surface: 147.257	Hydrophilic surface: 189.082

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.