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MMsINC code: MMs00403313

Type: Neutral
Formula: C₂₂H₂₆FN₃O₃

SMILES:

Fc1ccccc1C(=O)NC1CCN(CC1)CC(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C22H26FN3O3/c1-29-18-8-6-16(7-9-18)14-24-21(27)15-26-12-10-17(11-13-26)25-22(28)19-4-2-3-5-20(19)23/h2-9,17H,10-15H2,1H3,(H,24,27)(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6407 kcal/mol

Physical Properties
Molecular Weight: 399.466 g/mol	logS: -4.26711	SlogP: 2.6113	Reactive groups: 0

Topological Properties
Globularity: 0.0284478	Sterimol/B1: 3.54482	Sterimol/B2: 3.76265	Sterimol/B3: 3.82722
Sterimol/B4: 4.44816	Sterimol/L: 24.5894

Surface and Volume Properties
Accessible surface: 713.238	Positive charged surface: 492.559	Negative charged surface: 220.679	Volume: 382.75
Hydrophobic surface: 620.045	Hydrophilic surface: 93.193

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00403314
ASINEX-ZINC04910052