MMsINC Database Search


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MMsINC code: MMs02036939

Type: Neutral
Formula: C₂₆H₂₁F₃N₂

SMILES:

FC(F)(F)c1ccc(cc1)C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C26H21F3N2/c1-15-23(19-7-3-5-9-21(19)30-15)25(17-11-13-18(14-12-17)26(27,28)29)24-16(2)31-22-10-6-4-8-20(22)24/h3-14,25,30-31H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.988 kcal/mol

Physical Properties
Molecular Weight: 418.462 g/mol	logS: -7.0934	SlogP: 7.77654	Reactive groups: 0

Topological Properties
Globularity: 0.481604	Sterimol/B1: 2.58142	Sterimol/B2: 4.67762	Sterimol/B3: 7.46162
Sterimol/B4: 8.01582	Sterimol/L: 12.663

Surface and Volume Properties
Accessible surface: 622.043	Positive charged surface: 314.173	Negative charged surface: 305.924	Volume: 384.5
Hydrophobic surface: 470.871	Hydrophilic surface: 151.172

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.