MMsINC Database Search


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MMsINC code: MMs01878738

Type: Neutral
Formula: C₆H₁₀O₅

SMILES:

O1C2COC1C(O)C(O)C2O

InChI:

InChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/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)=90.5888 kcal/mol

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

Topological Properties
Globularity: 0.418337	Sterimol/B1: 2.44644	Sterimol/B2: 2.48388	Sterimol/B3: 4.02675
Sterimol/B4: 5.04712	Sterimol/L: 8.71983

Surface and Volume Properties
Accessible surface: 301.895	Positive charged surface: 236.474	Negative charged surface: 65.4207	Volume: 131.25
Hydrophobic surface: 136.167	Hydrophilic surface: 165.728

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.