MMsINC Database Search


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MMsINC code: MMs00975659

Type: Neutral
Formula: C₂₆H₂₂FN₃

SMILES:

Fc1cc2c3n(nc(c3cnc2cc1)-c1cc(C)c(cc1)C)-c1cc(C)c(cc1)C

InChI:

InChI=1/C26H22FN3/c1-15-5-7-19(11-17(15)3)25-23-14-28-24-10-8-20(27)13-22(24)26(23)30(29-25)21-9-6-16(2)18(4)12-21/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.661 kcal/mol

Physical Properties
Molecular Weight: 395.481 g/mol	logS: -8.55985	SlogP: 6.61348	Reactive groups: 0

Topological Properties
Globularity: 0.0422998	Sterimol/B1: 3.14866	Sterimol/B2: 3.91786	Sterimol/B3: 5.52703
Sterimol/B4: 7.78104	Sterimol/L: 17.0694

Surface and Volume Properties
Accessible surface: 669.833	Positive charged surface: 372.891	Negative charged surface: 287.363	Volume: 389
Hydrophobic surface: 632.28	Hydrophilic surface: 37.553

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.