MMsINC Database Search


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MMsINC code: MMs01256616

Type: Neutral
Formula: C₁₇H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)Nc1c(cc(cc1C)C)C

InChI:

InChI=1/C17H17F3N2O2/c1-10-6-11(2)16(12(3)7-10)21-14(23)9-22-8-13(17(18,19)20)4-5-15(22)24/h4-8H,9H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.975 kcal/mol

Physical Properties
Molecular Weight: 338.329 g/mol	logS: -4.46822	SlogP: 3.81486	Reactive groups: 0

Topological Properties
Globularity: 0.0851984	Sterimol/B1: 2.92981	Sterimol/B2: 3.01828	Sterimol/B3: 4.57109
Sterimol/B4: 6.01315	Sterimol/L: 15.6663

Surface and Volume Properties
Accessible surface: 564.301	Positive charged surface: 278.87	Negative charged surface: 285.431	Volume: 298.375
Hydrophobic surface: 394.213	Hydrophilic surface: 170.088

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.