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MMsINC code: MMs00904953

Type: Tautomer
Formula: C₂₅H₂₆F₂N₂

SMILES:

Fc1ccccc1C1N(CCCN1Cc1ccc(F)cc1)Cc1ccc(cc1)C

InChI:

InChI=1/C25H26F2N2/c1-19-7-9-20(10-8-19)17-28-15-4-16-29(18-21-11-13-22(26)14-12-21)25(28)23-5-2-3-6-24(23)27/h2-3,5-14,25H,4,15-18H2,1H3/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4596 kcal/mol

Physical Properties
Molecular Weight: 392.493 g/mol	logS: -5.98524	SlogP: 6.30822	Reactive groups: 0

Topological Properties
Globularity: 0.133773	Sterimol/B1: 2.85602	Sterimol/B2: 3.74844	Sterimol/B3: 5.6096
Sterimol/B4: 8.14971	Sterimol/L: 17.561

Surface and Volume Properties
Accessible surface: 651.436	Positive charged surface: 382.189	Negative charged surface: 269.246	Volume: 388.625
Hydrophobic surface: 642.726	Hydrophilic surface: 8.71

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Parent related molecule:

MMs00904952
CHEMDIV-ZINC03029431