MMsINC Database Search


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MMsINC code: MMs03345975

Type: Ionized
Formula: C₁₁H₉F₃NO₃-

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)/p-1/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8663 kcal/mol

Physical Properties
Molecular Weight: 260.191 g/mol	logS: -2.75221	SlogP: 0.9072	Reactive groups: 0

Topological Properties
Globularity: 0.0419776	Sterimol/B1: 2.8775	Sterimol/B2: 3.11375	Sterimol/B3: 4.30103
Sterimol/B4: 4.7554	Sterimol/L: 12.3119

Surface and Volume Properties
Accessible surface: 418.4	Positive charged surface: 173.718	Negative charged surface: 244.683	Volume: 207.625
Hydrophobic surface: 223.854	Hydrophilic surface: 194.546

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs03345974
PUBCHEM-ZINC05681444