MMsINC Database Search


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MMsINC code: MMs01480213

Type: Neutral
Formula: C₁₈H₁₉F₃N₂O₂

SMILES:

FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)Nc1ccccc1C(C)(C)C

InChI:

InChI=1/C18H19F3N2O2/c1-17(2,3)13-6-4-5-7-14(13)22-15(24)11-23-10-12(18(19,20)21)8-9-16(23)25/h4-10H,11H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.732 kcal/mol

Physical Properties
Molecular Weight: 352.356 g/mol	logS: -5.37949	SlogP: 4.1871	Reactive groups: 0

Topological Properties
Globularity: 0.0957339	Sterimol/B1: 3.38246	Sterimol/B2: 3.9575	Sterimol/B3: 4.13229
Sterimol/B4: 6.52402	Sterimol/L: 15.241

Surface and Volume Properties
Accessible surface: 566.951	Positive charged surface: 275.28	Negative charged surface: 291.671	Volume: 311.625
Hydrophobic surface: 354.245	Hydrophilic surface: 212.706

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.