MMsINC Database Search


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MMsINC code: MMs02716460

Type: Neutral
Formula: C₂₂H₁₅F₂N₃O

SMILES:

Fc1cc(NC(=O)c2cnn(c2-c2ccccc2)-c2ccccc2)cc(F)c1

InChI:

InChI=1/C22H15F2N3O/c23-16-11-17(24)13-18(12-16)26-22(28)20-14-25-27(19-9-5-2-6-10-19)21(20)15-7-3-1-4-8-15/h1-14H,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.835 kcal/mol

Physical Properties
Molecular Weight: 375.378 g/mol	logS: -6.49392	SlogP: 5.0698	Reactive groups: 0

Topological Properties
Globularity: 0.0430699	Sterimol/B1: 2.55572	Sterimol/B2: 3.01359	Sterimol/B3: 3.23046
Sterimol/B4: 8.54556	Sterimol/L: 17.5284

Surface and Volume Properties
Accessible surface: 605.583	Positive charged surface: 312.926	Negative charged surface: 292.657	Volume: 340.875
Hydrophobic surface: 564.93	Hydrophilic surface: 40.653

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.