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MMsINC code: MMs01226298

Type: Neutral
Formula: C₂₀H₁₃F₂N₃O

SMILES:

Fc1cccc(F)c1C(=O)Nc1ccccc1-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C20H13F2N3O/c21-13-7-5-8-14(22)18(13)20(26)25-15-9-2-1-6-12(15)19-23-16-10-3-4-11-17(16)24-19/h1-11H,(H,23,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5238 kcal/mol

Physical Properties
Molecular Weight: 349.34 g/mol	logS: -7.05019	SlogP: 4.7604	Reactive groups: 0

Topological Properties
Globularity: 0.055549	Sterimol/B1: 2.60076	Sterimol/B2: 3.5584	Sterimol/B3: 3.6901
Sterimol/B4: 10.6595	Sterimol/L: 13.9122

Surface and Volume Properties
Accessible surface: 571.353	Positive charged surface: 284.99	Negative charged surface: 286.363	Volume: 308.75
Hydrophobic surface: 518.891	Hydrophilic surface: 52.462

Pharmacophoric Properties
Hydrogen bond donors: 3	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.