MMsINC Database Search


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MMsINC code: MMs03417126

Type: Neutral
Formula: C₆H₁₀O₅

SMILES:

O1C2COC(C(O)C1O)C2O

InChI:

InChI=1/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9663 kcal/mol

Physical Properties
Molecular Weight: 162.141 g/mol	logS: 0.55339	SlogP: -2.1758	Reactive groups: 0

Topological Properties
Globularity: 0.316995	Sterimol/B1: 2.31106	Sterimol/B2: 2.75157	Sterimol/B3: 3.61162
Sterimol/B4: 4.96699	Sterimol/L: 8.87596

Surface and Volume Properties
Accessible surface: 306.344	Positive charged surface: 233.762	Negative charged surface: 72.5821	Volume: 133.375
Hydrophobic surface: 127.489	Hydrophilic surface: 178.855

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.