MMsINC Database Search


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MMsINC code: MMs00537989

Type: Neutral
Formula: C₁₉H₁₆F₄N₂O₂

SMILES:

Fc1ccccc1C(=O)NCCc1c2cc(OC(F)(F)F)ccc2[nH]c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6346 kcal/mol

Physical Properties
Molecular Weight: 380.341 g/mol	logS: -5.44798	SlogP: 4.90639	Reactive groups: 0

Topological Properties
Globularity: 0.0565055	Sterimol/B1: 2.17846	Sterimol/B2: 3.77845	Sterimol/B3: 4.26522
Sterimol/B4: 10.0797	Sterimol/L: 17.3683

Surface and Volume Properties
Accessible surface: 607.694	Positive charged surface: 290.581	Negative charged surface: 312.119	Volume: 322.125
Hydrophobic surface: 419.946	Hydrophilic surface: 187.748

Pharmacophoric Properties
Hydrogen bond donors: 2	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.