MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01480184

Type: Neutral
Formula: C₁₆H₁₅F₃N₂O₂

SMILES:

FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C16H15F3N2O2/c1-11(12-5-3-2-4-6-12)20-14(22)10-21-9-13(16(17,18)19)7-8-15(21)23/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.73 kcal/mol

Physical Properties
Molecular Weight: 324.302 g/mol	logS: -3.94461	SlogP: 3.2238	Reactive groups: 0

Topological Properties
Globularity: 0.0830013	Sterimol/B1: 2.31019	Sterimol/B2: 2.52435	Sterimol/B3: 5.14552
Sterimol/B4: 6.51145	Sterimol/L: 15.8216

Surface and Volume Properties
Accessible surface: 557.435	Positive charged surface: 258.513	Negative charged surface: 298.922	Volume: 283.125
Hydrophobic surface: 361.116	Hydrophilic surface: 196.319

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.