MMsINC Database Search


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MMsINC code: MMs01340409

Type: Neutral
Formula: C₂₂H₁₈FN₃O

SMILES:

Fc1ccc(cc1)C(=O)NCc1nc2c(n1Cc1ccccc1)cccc2

InChI:

InChI=1/C22H18FN3O/c23-18-12-10-17(11-13-18)22(27)24-14-21-25-19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3061 kcal/mol

Physical Properties
Molecular Weight: 359.404 g/mol	logS: -5.50732	SlogP: 4.6865	Reactive groups: 0

Topological Properties
Globularity: 0.143502	Sterimol/B1: 2.41374	Sterimol/B2: 4.07828	Sterimol/B3: 4.30656
Sterimol/B4: 8.10513	Sterimol/L: 15.9592

Surface and Volume Properties
Accessible surface: 582.49	Positive charged surface: 307.498	Negative charged surface: 274.993	Volume: 342.875
Hydrophobic surface: 503.901	Hydrophilic surface: 78.589

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.