MMsINC Database Search


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MMsINC code: MMs02107937

Type: Neutral
Formula: C₁₇H₁₅F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1ccccc1C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C17H15F3N2O2/c1-11-6-8-12(9-7-11)10-21-15(23)13-4-2-3-5-14(13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0357 kcal/mol

Physical Properties
Molecular Weight: 336.313 g/mol	logS: -5.05791	SlogP: 4.11212	Reactive groups: 0

Topological Properties
Globularity: 0.04761	Sterimol/B1: 3.42688	Sterimol/B2: 4.00179	Sterimol/B3: 5.15323
Sterimol/B4: 5.30608	Sterimol/L: 17.1337

Surface and Volume Properties
Accessible surface: 574.267	Positive charged surface: 274.379	Negative charged surface: 299.888	Volume: 291.375
Hydrophobic surface: 392.215	Hydrophilic surface: 182.052

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.