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MMsINC code: MMs03345960

Type: Neutral
Formula: C₁₁H₁₀F₃NO₃

SMILES:

FC(F)(F)C(NC(=O)c1ccccc1)CC(O)=O

InChI:

InChI=1/C11H10F3NO3/c12-11(13,14)8(6-9(16)17)15-10(18)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.3789 kcal/mol

Physical Properties
Molecular Weight: 261.199 g/mol	logS: -2.49176	SlogP: 2.2419	Reactive groups: 0

Topological Properties
Globularity: 0.113501	Sterimol/B1: 3.31411	Sterimol/B2: 3.61296	Sterimol/B3: 4.04213
Sterimol/B4: 5.06542	Sterimol/L: 12.3308

Surface and Volume Properties
Accessible surface: 437.161	Positive charged surface: 192.427	Negative charged surface: 244.735	Volume: 210.25
Hydrophobic surface: 231.8	Hydrophilic surface: 205.361

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

MMs03345961
PUBCHEM-ZINC05681414