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MMsINC code: MMs01688021

Type: Neutral
Formula: C₁₉H₁₅F₃O₄

SMILES:

FC(F)(F)c1ccccc1\C=C\C(=O)c1ccc(OC(C(O)=O)C)cc1

InChI:

InChI=1/C19H15F3O4/c1-12(18(24)25)26-15-9-6-14(7-10-15)17(23)11-8-13-4-2-3-5-16(13)19(20,21)22/h2-12H,1H3,(H,24,25)/b11-8+/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.898 kcal/mol

Physical Properties
Molecular Weight: 364.319 g/mol	logS: -5.39349	SlogP: 4.7649	Reactive groups: 1

Topological Properties
Globularity: 0.0189672	Sterimol/B1: 2.15588	Sterimol/B2: 3.89938	Sterimol/B3: 4.03734
Sterimol/B4: 6.31386	Sterimol/L: 18.124

Surface and Volume Properties
Accessible surface: 585.488	Positive charged surface: 258.043	Negative charged surface: 327.445	Volume: 314.25
Hydrophobic surface: 333.509	Hydrophilic surface: 251.979

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01688022
ENAMINE-ZINC06628306