MMsINC Database Search


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

MMsINC code: MMs02548781

Type: Neutral
Formula: C₁₀H₇F₃O₃

SMILES:

FC(F)(F)C(=O)CC(=O)c1ccc(O)cc1

InChI:

InChI=1/C10H7F3O3/c11-10(12,13)9(16)5-8(15)6-1-3-7(14)4-2-6/h1-4,14H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4616 kcal/mol

Physical Properties
Molecular Weight: 232.157 g/mol	logS: -2.6241	SlogP: 2.5163	Reactive groups: 1

Topological Properties
Globularity: 0.0218617	Sterimol/B1: 2.52599	Sterimol/B2: 2.53326	Sterimol/B3: 2.75008
Sterimol/B4: 5.23193	Sterimol/L: 13.1137

Surface and Volume Properties
Accessible surface: 395.461	Positive charged surface: 160.297	Negative charged surface: 235.164	Volume: 179.125
Hydrophobic surface: 174.934	Hydrophilic surface: 220.527

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

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:

Ions/Tautomers related molecules

MMs02548785 OAKWOOD-ZINC04243610	MMs02548782 OAKWOOD-ZINC04243610	MMs02548784 OAKWOOD-ZINC04243610
MMs02548783 OAKWOOD-ZINC04243610