MMsINC Database Search


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MMsINC code: MMs02769161

Type: Neutral
Formula: C₁₄H₁₂F₃N₃O

SMILES:

FC(F)(F)c1cc(NC(=O)Nc2nccc(c2)C)ccc1

InChI:

InChI=1/C14H12F3N3O/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5001 kcal/mol

Physical Properties
Molecular Weight: 295.264 g/mol	logS: -3.83564	SlogP: 4.36432	Reactive groups: 0

Topological Properties
Globularity: 0.0230858	Sterimol/B1: 2.70354	Sterimol/B2: 2.8445	Sterimol/B3: 3.451
Sterimol/B4: 5.15083	Sterimol/L: 16.8657

Surface and Volume Properties
Accessible surface: 505.909	Positive charged surface: 267.233	Negative charged surface: 238.676	Volume: 249.875
Hydrophobic surface: 324.581	Hydrophilic surface: 181.328

Pharmacophoric Properties
Hydrogen bond donors: 2	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.