MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02517691

Type: Ionized
Formula: C₆H₉F₂O₈P-2

SMILES:

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

InChI:

InChI=1/C6H11F2O8P/c7-5(8)4-2(10)1(9)3(11)6(15-4)16-17(12,13)14/h1-6,9-11H,(H2,12,13,14)/p-2/t1-,2+,3+,4+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.7227 kcal/mol

Physical Properties
Molecular Weight: 278.1 g/mol	logS: 0.58868	SlogP: -3.7459	Reactive groups: 0

Topological Properties
Globularity: 0.17957	Sterimol/B1: 2.44422	Sterimol/B2: 3.19666	Sterimol/B3: 3.64601
Sterimol/B4: 6.18115	Sterimol/L: 11.3093

Surface and Volume Properties
Accessible surface: 394.629	Positive charged surface: 157.429	Negative charged surface: 237.2	Volume: 183.375
Hydrophobic surface: 72.4615	Hydrophilic surface: 322.1675

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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: 1

search links for this molecule:

Parent related molecule:

MMs02517690
NCID-ZINC06018813