MMsINC Database Search


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MMsINC code: MMs01455959

Type: Neutral
Formula: C₁₉H₁₆F₄N₂O₂

SMILES:

Fc1ccc(cc1)\C=C\C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C

InChI:

InChI=1/C19H16F4N2O2/c1-25(18(27)11-8-13-6-9-14(20)10-7-13)12-17(26)24-16-5-3-2-4-15(16)19(21,22)23/h2-11H,12H2,1H3,(H,24,26)/b11-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.232 kcal/mol

Physical Properties
Molecular Weight: 380.341 g/mol	logS: -5.2788	SlogP: 4.2663	Reactive groups: 0

Topological Properties
Globularity: 0.0860103	Sterimol/B1: 2.08286	Sterimol/B2: 2.9473	Sterimol/B3: 5.89201
Sterimol/B4: 6.54575	Sterimol/L: 18.6499

Surface and Volume Properties
Accessible surface: 613.019	Positive charged surface: 292.223	Negative charged surface: 320.795	Volume: 326.125
Hydrophobic surface: 462.266	Hydrophilic surface: 150.753

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.