MMsINC Database Search


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MMsINC code: MMs01208211

Type: Neutral
Formula: C₂₂H₁₆F₂N₄O₂

SMILES:

Fc1ccc(cc1)-c1nc(OC)nn1-c1cc(NC(=O)c2ccc(F)cc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.324 kcal/mol

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

Topological Properties
Globularity: 0.0785813	Sterimol/B1: 2.55143	Sterimol/B2: 3.55355	Sterimol/B3: 4.2254
Sterimol/B4: 10.0891	Sterimol/L: 18.0607

Surface and Volume Properties
Accessible surface: 659.292	Positive charged surface: 361.195	Negative charged surface: 298.097	Volume: 359.375
Hydrophobic surface: 572.309	Hydrophilic surface: 86.983

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.