MMsINC Database Search


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MMsINC code: MMs00520836

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O

SMILES:

FC(F)(F)c1nc2c(cc(cc2NC(=O)C)C)c(c1)-c1ccccc1

InChI:

InChI=1/C19H15F3N2O/c1-11-8-15-14(13-6-4-3-5-7-13)10-17(19(20,21)22)24-18(15)16(9-11)23-12(2)25/h3-10H,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.302 kcal/mol

Physical Properties
Molecular Weight: 344.336 g/mol	logS: -6.29264	SlogP: 5.49892	Reactive groups: 0

Topological Properties
Globularity: 0.042918	Sterimol/B1: 1.969	Sterimol/B2: 2.59975	Sterimol/B3: 3.45151
Sterimol/B4: 9.94709	Sterimol/L: 15.8297

Surface and Volume Properties
Accessible surface: 567.373	Positive charged surface: 274.313	Negative charged surface: 284.82	Volume: 305.875
Hydrophobic surface: 405.717	Hydrophilic surface: 161.656

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.