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MMsINC code: MMs03404967

Type: Neutral
Formula: C₆H₁₂FO₈P

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)/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)=-29.8325 kcal/mol

Physical Properties
Molecular Weight: 262.126 g/mol	logS: 0.93614	SlogP: -2.7775	Reactive groups: 0

Topological Properties
Globularity: 0.194696	Sterimol/B1: 3.18579	Sterimol/B2: 3.20095	Sterimol/B3: 3.52195
Sterimol/B4: 7.00946	Sterimol/L: 10.6551

Surface and Volume Properties
Accessible surface: 409.959	Positive charged surface: 249.93	Negative charged surface: 160.028	Volume: 186.75
Hydrophobic surface: 105.772	Hydrophilic surface: 304.187

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs03404968
PUBCHEM-ZINC05830076