MMsINC Database Search


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MMsINC code: MMs03525345

Type: Neutral
Formula: C₆H₁₀O₅

SMILES:

O1C2C1C(O)C(O)C(O)C2O

InChI:

InChI=1/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0529 kcal/mol

Physical Properties
Molecular Weight: 162.141 g/mol	logS: 0.7793	SlogP: -2.789	Reactive groups: 1

Topological Properties
Globularity: 0.16838	Sterimol/B1: 2.61626	Sterimol/B2: 3.16499	Sterimol/B3: 3.31915
Sterimol/B4: 4.84103	Sterimol/L: 9.22636

Surface and Volume Properties
Accessible surface: 309.667	Positive charged surface: 202.247	Negative charged surface: 107.421	Volume: 133
Hydrophobic surface: 120.804	Hydrophilic surface: 188.863

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 6

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.