MMsINC Database Search


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MMsINC code: MMs00975618

Type: Neutral
Formula: C₂₆H₂₂FN₃

SMILES:

Fc1cc2ncc3c(n(nc3-c3ccccc3)-c3ccc(cc3)C(C)(C)C)c2cc1

InChI:

InChI=1/C26H22FN3/c1-26(2,3)18-9-12-20(13-10-18)30-25-21-14-11-19(27)15-23(21)28-16-22(25)24(29-30)17-7-5-4-6-8-17/h4-16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.441 kcal/mol

Physical Properties
Molecular Weight: 395.481 g/mol	logS: -8.68375	SlogP: 6.6773	Reactive groups: 0

Topological Properties
Globularity: 0.0473291	Sterimol/B1: 2.26579	Sterimol/B2: 4.90245	Sterimol/B3: 4.91348
Sterimol/B4: 8.52395	Sterimol/L: 17.1447

Surface and Volume Properties
Accessible surface: 658.114	Positive charged surface: 366.166	Negative charged surface: 282.806	Volume: 388.875
Hydrophobic surface: 570.317	Hydrophilic surface: 87.797

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.