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MMsINC code: MMs03659987

Type: Ionized
Formula: C₆H₁₁O₉P-2

SMILES:

P(OC1C(O)C(OC(O)C1O)CO)(=O)([O-])[O-]

InChI:

InChI=1/C6H13O9P/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3+,4+,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.4188 kcal/mol

Physical Properties
Molecular Weight: 258.119 g/mol	logS: 1.31933	SlogP: -5.4386	Reactive groups: 0

Topological Properties
Globularity: 0.202441	Sterimol/B1: 2.46706	Sterimol/B2: 3.23643	Sterimol/B3: 3.63762
Sterimol/B4: 6.42038	Sterimol/L: 11.7755

Surface and Volume Properties
Accessible surface: 395.695	Positive charged surface: 199.002	Negative charged surface: 196.693	Volume: 183.625
Hydrophobic surface: 109.43	Hydrophilic surface: 286.265

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 3	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: 0

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Parent related molecule:

MMs03659986
PUBCHEM-ZINC06292549