MMsINC Database Search


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MMsINC code: MMs01995722

Type: Neutral
Formula: C₁₉H₁₄F₃NO₂

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)Nc1cc(OC)c2c(c1)cccc2

InChI:

InChI=1/C19H14F3NO2/c1-25-17-11-15(10-12-5-2-3-8-16(12)17)23-18(24)13-6-4-7-14(9-13)19(20,21)22/h2-11H,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.868 kcal/mol

Physical Properties
Molecular Weight: 345.32 g/mol	logS: -6.33968	SlogP: 5.431	Reactive groups: 0

Topological Properties
Globularity: 0.0225338	Sterimol/B1: 2.19345	Sterimol/B2: 2.99174	Sterimol/B3: 3.34008
Sterimol/B4: 8.76211	Sterimol/L: 16.8694

Surface and Volume Properties
Accessible surface: 567.263	Positive charged surface: 278.075	Negative charged surface: 277.259	Volume: 300.5
Hydrophobic surface: 423.753	Hydrophilic surface: 143.51

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.