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MMsINC code: MMs01713471

Type: Neutral
Formula: C₁₅H₇F₅NO₃-

SMILES:

Fc1cc(F)ccc1C(=O)Nc1cc(ccc1C(=O)[O-])C(F)(F)F

InChI:

InChI=1/C15H8F5NO3/c16-8-2-4-9(11(17)6-8)13(22)21-12-5-7(15(18,19)20)1-3-10(12)14(23)24/h1-6H,(H,21,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6136 kcal/mol

Physical Properties
Molecular Weight: 344.215 g/mol	logS: -5.23123	SlogP: 2.9109	Reactive groups: 0

Topological Properties
Globularity: 0.030285	Sterimol/B1: 2.60654	Sterimol/B2: 2.92494	Sterimol/B3: 4.92713
Sterimol/B4: 5.15951	Sterimol/L: 15.0304

Surface and Volume Properties
Accessible surface: 497.849	Positive charged surface: 165.334	Negative charged surface: 332.515	Volume: 255.5
Hydrophobic surface: 292.139	Hydrophilic surface: 205.71

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

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

MMs01713472
ENAMINE-ZINC06936385