MMsINC Database Search


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MMsINC code: MMs01239179

Type: Neutral
Formula: C₂₁H₁₆F₃NO

SMILES:

FC(F)(F)c1ccccc1C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H16F3NO/c22-21(23,24)18-14-8-7-13-17(18)20(26)25-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9898 kcal/mol

Physical Properties
Molecular Weight: 355.359 g/mol	logS: -6.12336	SlogP: 5.6318	Reactive groups: 0

Topological Properties
Globularity: 0.198566	Sterimol/B1: 2.36085	Sterimol/B2: 3.20899	Sterimol/B3: 5.77439
Sterimol/B4: 8.74884	Sterimol/L: 13.7926

Surface and Volume Properties
Accessible surface: 581.232	Positive charged surface: 261.183	Negative charged surface: 320.049	Volume: 321.875
Hydrophobic surface: 479.961	Hydrophilic surface: 101.271

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.