MMsINC Database Search


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MMsINC code: MMs00051465

Type: Ionized
Formula: C₁₁H₅F₇NO₃-

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C11H6F7NO3/c12-9(13,10(14,15)11(16,17)18)8(22)19-6-4-2-1-3-5(6)7(20)21/h1-4H,(H,19,22)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3593 kcal/mol

Physical Properties
Molecular Weight: 332.151 g/mol	logS: -4.30649	SlogP: 3.0812	Reactive groups: 1

Topological Properties
Globularity: 0.0247012	Sterimol/B1: 2.6763	Sterimol/B2: 2.75852	Sterimol/B3: 3.55552
Sterimol/B4: 5.78828	Sterimol/L: 14.1602

Surface and Volume Properties
Accessible surface: 442.47	Positive charged surface: 115.553	Negative charged surface: 326.918	Volume: 217.875
Hydrophobic surface: 153.112	Hydrophilic surface: 289.358

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

search links for this molecule:

Parent related molecule:

MMs00051464
APOLLO-ZINC02300644