MMsINC Database Search


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MMsINC code: MMs01771377

Type: Ionized
Formula: C₆H₁₁O₉P-2

SMILES:

P(OC1OC(CO)C(O)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/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)=-0.0635851 kcal/mol

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

Topological Properties
Globularity: 0.194231	Sterimol/B1: 3.31642	Sterimol/B2: 3.32497	Sterimol/B3: 4.03273
Sterimol/B4: 5.68746	Sterimol/L: 10.2706

Surface and Volume Properties
Accessible surface: 383.363	Positive charged surface: 191.923	Negative charged surface: 191.44	Volume: 181.875
Hydrophobic surface: 113.842	Hydrophilic surface: 269.521

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

search links for this molecule:

Parent related molecule:

MMs01771376
IBS-ZINC01532537