MMsINC Database Search


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MMsINC code: MMs00287045

Type: Neutral
Formula: C₁₅H₁₁F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C15H11F3N2O2/c16-15(17,18)14(22)20-12-8-4-5-10(9-12)13(21)19-11-6-2-1-3-7-11/h1-9H,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.509 kcal/mol

Physical Properties
Molecular Weight: 308.259 g/mol	logS: -4.63995	SlogP: 3.8596	Reactive groups: 0

Topological Properties
Globularity: 0.0280194	Sterimol/B1: 2.79436	Sterimol/B2: 2.82631	Sterimol/B3: 3.40545
Sterimol/B4: 6.53148	Sterimol/L: 16.0668

Surface and Volume Properties
Accessible surface: 511.805	Positive charged surface: 218.923	Negative charged surface: 292.882	Volume: 255.875
Hydrophobic surface: 315.412	Hydrophilic surface: 196.393

Pharmacophoric Properties
Hydrogen bond donors: 2	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.