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MMsINC code: MMs00490610

Type: Neutral
Formula: C₁₇H₁₉FN₄O

SMILES:

Fc1ccc(N2CCN(CC2)CC(=O)Nc2ncccc2)cc1

InChI:

InChI=1/C17H19FN4O/c18-14-4-6-15(7-5-14)22-11-9-21(10-12-22)13-17(23)20-16-3-1-2-8-19-16/h1-8H,9-13H2,(H,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.25 kcal/mol

Physical Properties
Molecular Weight: 314.364 g/mol	logS: -2.70355	SlogP: 1.9814	Reactive groups: 0

Topological Properties
Globularity: 0.0374769	Sterimol/B1: 3.33825	Sterimol/B2: 3.3505	Sterimol/B3: 3.90747
Sterimol/B4: 5.02964	Sterimol/L: 18.6166

Surface and Volume Properties
Accessible surface: 561.523	Positive charged surface: 383.965	Negative charged surface: 177.558	Volume: 297.125
Hydrophobic surface: 495.465	Hydrophilic surface: 66.058

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

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Ions/Tautomers related molecules

MMs00490611
CHEMBLOCK-ZINC00054262