MMsINC Database Search


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MMsINC code: MMs00571977

Type: Neutral
Formula: C₂₁H₁₇F₃N₂O

SMILES:

FC(F)(F)c1ccc(NC(=O)c2ccccc2NCc2ccccc2)cc1

InChI:

InChI=1/C21H17F3N2O/c22-21(23,24)16-10-12-17(13-11-16)26-20(27)18-8-4-5-9-19(18)25-14-15-6-2-1-3-7-15/h1-13,25H,14H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.362 kcal/mol

Physical Properties
Molecular Weight: 370.374 g/mol	logS: -5.97578	SlogP: 6.1477	Reactive groups: 0

Topological Properties
Globularity: 0.0561101	Sterimol/B1: 2.56221	Sterimol/B2: 3.60603	Sterimol/B3: 3.71285
Sterimol/B4: 11.2067	Sterimol/L: 14.2862

Surface and Volume Properties
Accessible surface: 624.306	Positive charged surface: 296.384	Negative charged surface: 327.922	Volume: 332.5
Hydrophobic surface: 486.284	Hydrophilic surface: 138.022

Pharmacophoric Properties
Hydrogen bond donors: 2	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.