MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01024571

Type: Neutral
Formula: C₂₄H₂₀F₂N₂O₂

SMILES:

Fc1ccccc1CNCc1c2c(n(Cc3ccccc3F)c1C(O)=O)cccc2

InChI:

InChI=1/C24H20F2N2O2/c25-20-10-4-1-7-16(20)13-27-14-19-18-9-3-6-12-22(18)28(23(19)24(29)30)15-17-8-2-5-11-21(17)26/h1-12,27H,13-15H2,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5294 kcal/mol

Physical Properties
Molecular Weight: 406.432 g/mol	logS: -5.55737	SlogP: 5.755	Reactive groups: 0

Topological Properties
Globularity: 0.0694718	Sterimol/B1: 3.4492	Sterimol/B2: 4.06103	Sterimol/B3: 5.70271
Sterimol/B4: 5.85994	Sterimol/L: 17.9804

Surface and Volume Properties
Accessible surface: 648.634	Positive charged surface: 365.819	Negative charged surface: 277.62	Volume: 375.875
Hydrophobic surface: 555.534	Hydrophilic surface: 93.1

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.