MMsINC Database Search


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MMsINC code: MMs01256352

Type: Neutral
Formula: C₁₄H₆F₇NO₂

SMILES:

Fc1c(F)c(cc(F)c1F)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI:

InChI=1/C14H6F7NO2/c15-9-5-8(10(16)12(18)11(9)17)13(23)22-6-1-3-7(4-2-6)24-14(19,20)21/h1-5H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1185 kcal/mol

Physical Properties
Molecular Weight: 353.193 g/mol	logS: -5.72412	SlogP: 4.8138	Reactive groups: 0

Topological Properties
Globularity: 0.0176456	Sterimol/B1: 2.13745	Sterimol/B2: 2.81287	Sterimol/B3: 3.5772
Sterimol/B4: 5.22064	Sterimol/L: 16.9769

Surface and Volume Properties
Accessible surface: 494.81	Positive charged surface: 167.134	Negative charged surface: 327.677	Volume: 244.875
Hydrophobic surface: 342.93	Hydrophilic surface: 151.88

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	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: no related molecules available.