MMsINC Database Search


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

MMsINC code: MMs02550747

Type: Neutral
Formula: C₁₁H₉F₅O₃

SMILES:

FC(F)(C(O)(C(OC)=O)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C11H9F5O3/c1-19-8(17)9(18,7-5-3-2-4-6-7)10(12,13)11(14,15)16/h2-6,18H,1H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3454 kcal/mol

Physical Properties
Molecular Weight: 284.18 g/mol	logS: -3.3504	SlogP: 3.3961	Reactive groups: 1

Topological Properties
Globularity: 0.250944	Sterimol/B1: 2.45602	Sterimol/B2: 3.46532	Sterimol/B3: 3.75079
Sterimol/B4: 6.63524	Sterimol/L: 12.0087

Surface and Volume Properties
Accessible surface: 418.53	Positive charged surface: 203.09	Negative charged surface: 215.44	Volume: 210.625
Hydrophobic surface: 242.395	Hydrophilic surface: 176.135

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.