MMsINC Database Search


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

MMsINC code: MMs03404791

Type: Ionized
Formula: C₆H₉F₂O₅-

SMILES:

FC1(F)C([O-])C(O)C(OC1O)CO

InChI:

InChI=1/C6H9F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-10,12H,1H2/q-1/t2-,3+,4+,5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4969 kcal/mol

Physical Properties
Molecular Weight: 199.129 g/mol	logS: 0.27255	SlogP: -1.0889	Reactive groups: 0

Topological Properties
Globularity: 0.215901	Sterimol/B1: 2.91817	Sterimol/B2: 3.19939	Sterimol/B3: 4.13247
Sterimol/B4: 4.74498	Sterimol/L: 9.5278

Surface and Volume Properties
Accessible surface: 330.111	Positive charged surface: 172.651	Negative charged surface: 157.46	Volume: 145
Hydrophobic surface: 112.786	Hydrophilic surface: 217.325

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 1	Basic groups: 0
Chiral centers: 4

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:

MMs03404790
PUBCHEM-ZINC05829825