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MMsINC code: MMs00431921

Type: Neutral
Formula: C₂₀H₁₂FN₃O₂

SMILES:

Fc1cc2c(cc1)C(=O)N(C2=O)c1ccc(N=Nc2ccccc2)cc1

InChI:

InChI=1/C20H12FN3O2/c21-13-6-11-17-18(12-13)20(26)24(19(17)25)16-9-7-15(8-10-16)23-22-14-4-2-1-3-5-14/h1-12H/b23-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0319 kcal/mol

Physical Properties
Molecular Weight: 345.333 g/mol	logS: -5.94637	SlogP: 5.0417	Reactive groups: 0

Topological Properties
Globularity: 3.46641e-07	Sterimol/B1: 2.09901	Sterimol/B2: 2.10315	Sterimol/B3: 4.11505
Sterimol/B4: 4.14731	Sterimol/L: 20.2887

Surface and Volume Properties
Accessible surface: 584.939	Positive charged surface: 277.394	Negative charged surface: 307.545	Volume: 311
Hydrophobic surface: 514.656	Hydrophilic surface: 70.283

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.