MMsINC Database Search


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MMsINC code: MMs01208545

Type: Neutral
Formula: C₂₂H₁₆F₂N₄O₂

SMILES:

Fc1ccccc1-c1nc(OC)nn1-c1ccc(NC(=O)c2ccccc2F)cc1

InChI:

InChI=1/C22H16F2N4O2/c1-30-22-26-20(16-6-2-4-8-18(16)23)28(27-22)15-12-10-14(11-13-15)25-21(29)17-7-3-5-9-19(17)24/h2-13H,1H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.518 kcal/mol

Physical Properties
Molecular Weight: 406.392 g/mol	logS: -7.59898	SlogP: 4.4734	Reactive groups: 0

Topological Properties
Globularity: 0.0260661	Sterimol/B1: 2.38194	Sterimol/B2: 2.92012	Sterimol/B3: 3.69546
Sterimol/B4: 9.43237	Sterimol/L: 19.247

Surface and Volume Properties
Accessible surface: 653.597	Positive charged surface: 367.452	Negative charged surface: 286.145	Volume: 363.625
Hydrophobic surface: 569.083	Hydrophilic surface: 84.514

Pharmacophoric Properties
Hydrogen bond donors: 1	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.