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MMsINC code: MMs01021421

Type: Neutral
Formula: C₂₄H₁₈FN₃O₂

SMILES:

Fc1ccc(cc1)-c1nc(nc-2c1COc1c-2cccc1)Nc1ccccc1OC

InChI:

InChI=1/C24H18FN3O2/c1-29-21-9-5-3-7-19(21)26-24-27-22(15-10-12-16(25)13-11-15)18-14-30-20-8-4-2-6-17(20)23(18)28-24/h2-13H,14H2,1H3,(H,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.448 kcal/mol

Physical Properties
Molecular Weight: 399.425 g/mol	logS: -7.8183	SlogP: 5.8607	Reactive groups: 0

Topological Properties
Globularity: 0.0518411	Sterimol/B1: 2.30321	Sterimol/B2: 3.23252	Sterimol/B3: 4.42492
Sterimol/B4: 11.2177	Sterimol/L: 15.639

Surface and Volume Properties
Accessible surface: 633.905	Positive charged surface: 385.384	Negative charged surface: 242.668	Volume: 370.25
Hydrophobic surface: 556.611	Hydrophilic surface: 77.294

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

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Ions/Tautomers related molecules: no related molecules available.