MMsINC Database Search


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MMsINC code: MMs00239746

Type: Neutral
Formula: C₁₉H₁₆FN₃O

SMILES:

Fc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C19H16FN3O/c20-16-10-4-5-11-17(16)23-18-15(9-6-12-21-18)19(24)22-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9295 kcal/mol

Physical Properties
Molecular Weight: 321.355 g/mol	logS: -4.26733	SlogP: 4.1607	Reactive groups: 0

Topological Properties
Globularity: 0.0355258	Sterimol/B1: 3.60056	Sterimol/B2: 3.69792	Sterimol/B3: 4.50906
Sterimol/B4: 5.78038	Sterimol/L: 18.332

Surface and Volume Properties
Accessible surface: 576.95	Positive charged surface: 336.485	Negative charged surface: 240.465	Volume: 305.125
Hydrophobic surface: 524.145	Hydrophilic surface: 52.805

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.