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MMsINC code: MMs00566866

Type: Neutral
Formula: C₂₀H₂₁FN₄O₂

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1onc(n1)-c1ccc(OC)cc1

InChI:

InChI=1/C20H21FN4O2/c1-26-16-8-6-15(7-9-16)20-22-19(27-23-20)14-24-10-12-25(13-11-24)18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.678 kcal/mol

Physical Properties
Molecular Weight: 368.412 g/mol	logS: -5.27113	SlogP: 3.4729	Reactive groups: 0

Topological Properties
Globularity: 0.0630884	Sterimol/B1: 2.20015	Sterimol/B2: 3.17859	Sterimol/B3: 4.90245
Sterimol/B4: 7.70471	Sterimol/L: 19.0025

Surface and Volume Properties
Accessible surface: 644.146	Positive charged surface: 426.901	Negative charged surface: 217.245	Volume: 345.625
Hydrophobic surface: 569.658	Hydrophilic surface: 74.488

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

MMs00566867
CHEMBLOCK-ZINC04629020