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MMsINC code: MMs03384406

Type: Neutral
Formula: C₆H₁₀O₇

SMILES:

O1C(C(O)C(O)=O)C(O)C(O)C1O

InChI:

InChI=1/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9868 kcal/mol

Physical Properties
Molecular Weight: 194.139 g/mol	logS: 1.05157	SlogP: -3.1291	Reactive groups: 0

Topological Properties
Globularity: 0.160315	Sterimol/B1: 2.65901	Sterimol/B2: 2.90181	Sterimol/B3: 2.92591
Sterimol/B4: 5.19257	Sterimol/L: 10.579

Surface and Volume Properties
Accessible surface: 350.644	Positive charged surface: 243.307	Negative charged surface: 107.338	Volume: 150.5
Hydrophobic surface: 78.7606	Hydrophilic surface: 271.8834

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	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

MMs03384407
PUBCHEM-ZINC05783662