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MMsINC code: MMs02858144

Type: Neutral
Formula: C₁₃H₉F₆NO₄

SMILES:

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

InChI:

InChI=1/C13H9F6NO4/c14-12(15,16)9(21)7-3-1-6(2-4-7)5-8(10(22)23)20-11(24)13(17,18)19/h1-4,8H,5H2,(H,20,24)(H,22,23)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.541 kcal/mol

Physical Properties
Molecular Weight: 357.206 g/mol	logS: -4.05921	SlogP: 2.94557	Reactive groups: 0

Topological Properties
Globularity: 0.123199	Sterimol/B1: 2.16869	Sterimol/B2: 4.49522	Sterimol/B3: 5.15815
Sterimol/B4: 5.2291	Sterimol/L: 13.7047

Surface and Volume Properties
Accessible surface: 505.582	Positive charged surface: 164.105	Negative charged surface: 341.478	Volume: 252.875
Hydrophobic surface: 144.444	Hydrophilic surface: 361.138

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs02858145
PUBCHEM-ZINC02028329