MMsINC Database Search


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MMsINC code: MMs01443725

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O

SMILES:

FC(F)(F)c1ccc(cc1)CN(C(=O)c1nc2c(cc1)cccc2)C

InChI:

InChI=1/C19H15F3N2O/c1-24(12-13-6-9-15(10-7-13)19(20,21)22)18(25)17-11-8-14-4-2-3-5-16(14)23-17/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.902 kcal/mol

Physical Properties
Molecular Weight: 344.336 g/mol	logS: -4.99093	SlogP: 5.1037	Reactive groups: 0

Topological Properties
Globularity: 0.0980182	Sterimol/B1: 2.29166	Sterimol/B2: 3.527	Sterimol/B3: 5.1213
Sterimol/B4: 6.21777	Sterimol/L: 17.1649

Surface and Volume Properties
Accessible surface: 552.594	Positive charged surface: 273.829	Negative charged surface: 274.238	Volume: 308.375
Hydrophobic surface: 403.521	Hydrophilic surface: 149.073

Pharmacophoric Properties
Hydrogen bond donors: 0	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.