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MMsINC code: MMs00417432

Type: Neutral
Formula: C₂₂H₂₆F₂N₂O₃

SMILES:

Fc1cc(F)ccc1C(=O)N(Cc1ccccc1OC)CCCN1CCOCC1

InChI:

InChI=1/C22H26F2N2O3/c1-28-21-6-3-2-5-17(21)16-26(10-4-9-25-11-13-29-14-12-25)22(27)19-8-7-18(23)15-20(19)24/h2-3,5-8,15H,4,9-14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.165 kcal/mol

Physical Properties
Molecular Weight: 404.457 g/mol	logS: -4.2244	SlogP: 3.6045	Reactive groups: 0

Topological Properties
Globularity: 0.0911925	Sterimol/B1: 2.70231	Sterimol/B2: 4.28963	Sterimol/B3: 6.00325
Sterimol/B4: 7.23853	Sterimol/L: 16.0538

Surface and Volume Properties
Accessible surface: 641.051	Positive charged surface: 453.486	Negative charged surface: 187.564	Volume: 381
Hydrophobic surface: 598.996	Hydrophilic surface: 42.055

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00417433
ASINEX-ZINC04968463