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MMsINC code: MMs02517693

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)=37.9429 kcal/mol

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

Topological Properties
Globularity: 0.223837	Sterimol/B1: 2.53041	Sterimol/B2: 3.16168	Sterimol/B3: 4.05448
Sterimol/B4: 6.0016	Sterimol/L: 11.1552

Surface and Volume Properties
Accessible surface: 383.403	Positive charged surface: 149.028	Negative charged surface: 234.374	Volume: 179.375
Hydrophobic surface: 79.4409	Hydrophilic surface: 303.9621

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:

MMs02517692
NCID-ZINC06018815