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MMsINC code: MMs00157243

Type: Neutral
Formula: C₂₀H₂₁FN₄O₂

SMILES:

Fc1ccccc1C(=O)Nc1nc2c(n1CCN1CCOCC1)cccc2

InChI:

InChI=1/C20H21FN4O2/c21-16-6-2-1-5-15(16)19(26)23-20-22-17-7-3-4-8-18(17)25(20)10-9-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0882 kcal/mol

Physical Properties
Molecular Weight: 368.412 g/mol	logS: -4.75467	SlogP: 3.0263	Reactive groups: 0

Topological Properties
Globularity: 0.0582584	Sterimol/B1: 2.93951	Sterimol/B2: 3.74325	Sterimol/B3: 4.832
Sterimol/B4: 9.3909	Sterimol/L: 14.7184

Surface and Volume Properties
Accessible surface: 621.426	Positive charged surface: 400.323	Negative charged surface: 221.103	Volume: 346.75
Hydrophobic surface: 549.188	Hydrophilic surface: 72.238

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00157244
ASINEX-ZINC00755488