MMsINC Database Search


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MMsINC code: MMs00349113

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O₃

SMILES:

FC(F)(F)C(=O)c1c2c(n(c1)CC(=O)Nc1ccc(OC)cc1)cccc2

InChI:

InChI=1/C19H15F3N2O3/c1-27-13-8-6-12(7-9-13)23-17(25)11-24-10-15(18(26)19(20,21)22)14-4-2-3-5-16(14)24/h2-10H,11H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.503 kcal/mol

Physical Properties
Molecular Weight: 376.334 g/mol	logS: -5.0035	SlogP: 4.7199	Reactive groups: 0

Topological Properties
Globularity: 0.0842219	Sterimol/B1: 2.26748	Sterimol/B2: 5.14642	Sterimol/B3: 5.24744
Sterimol/B4: 5.95865	Sterimol/L: 16.9944

Surface and Volume Properties
Accessible surface: 605.359	Positive charged surface: 310.81	Negative charged surface: 289.151	Volume: 323
Hydrophobic surface: 419.245	Hydrophilic surface: 186.114

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.