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MMsINC code: MMs03404968

Type: Ionized
Formula: C₆H₁₀FO₈P-2

SMILES:

P(OC1OC(CO)C(O)C(O)C1F)(=O)([O-])[O-]

InChI:

InChI=1/C6H12FO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,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)=9.55127 kcal/mol

Physical Properties
Molecular Weight: 260.11 g/mol	logS: 0.7931	SlogP: -4.0415	Reactive groups: 0

Topological Properties
Globularity: 0.202063	Sterimol/B1: 2.25292	Sterimol/B2: 2.70828	Sterimol/B3: 4.14164
Sterimol/B4: 6.64391	Sterimol/L: 10.0097

Surface and Volume Properties
Accessible surface: 374.06	Positive charged surface: 177.701	Negative charged surface: 196.359	Volume: 176.5
Hydrophobic surface: 116.057	Hydrophilic surface: 258.003

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:

MMs03404967
PUBCHEM-ZINC05830076