MMsINC Database Search


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MMsINC code: MMs02799340

Type: Neutral
Formula: C₂₀H₁₆FN₃O₃

SMILES:

Fc1ccccc1C(=O)Nc1ccc(nc1)NC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C20H16FN3O3/c1-27-15-9-6-13(7-10-15)19(25)24-18-11-8-14(12-22-18)23-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,23,26)(H,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.872 kcal/mol

Physical Properties
Molecular Weight: 365.364 g/mol	logS: -4.72334	SlogP: 3.7339	Reactive groups: 0

Topological Properties
Globularity: 0.008209	Sterimol/B1: 2.66274	Sterimol/B2: 2.90543	Sterimol/B3: 2.94918
Sterimol/B4: 5.3097	Sterimol/L: 22.447

Surface and Volume Properties
Accessible surface: 633.246	Positive charged surface: 382.611	Negative charged surface: 250.635	Volume: 332
Hydrophobic surface: 532.71	Hydrophilic surface: 100.536

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.