MMsINC Database Search


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MMsINC code: MMs01373710

Type: Neutral
Formula: C₁₆H₁₅F₃N₂O₂

SMILES:

FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C16H15F3N2O2/c1-2-11-3-6-13(7-4-11)20-14(22)10-21-9-12(16(17,18)19)5-8-15(21)23/h3-9H,2,10H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7983 kcal/mol

Physical Properties
Molecular Weight: 324.302 g/mol	logS: -4.6625	SlogP: 3.45197	Reactive groups: 0

Topological Properties
Globularity: 0.0845351	Sterimol/B1: 3.14629	Sterimol/B2: 4.21747	Sterimol/B3: 4.33193
Sterimol/B4: 5.17201	Sterimol/L: 16.9602

Surface and Volume Properties
Accessible surface: 548.764	Positive charged surface: 273.132	Negative charged surface: 275.632	Volume: 281
Hydrophobic surface: 342.835	Hydrophilic surface: 205.929

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.