MMsINC Database Search


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MMsINC code: MMs01972828

Type: Neutral
Formula: C₁₉H₁₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)NCc1c2c3c(ccc2)C(=O)Nc3cc1

InChI:

InChI=1/C19H13FN2O2/c20-15-7-2-1-4-13(15)18(23)21-10-11-8-9-16-17-12(11)5-3-6-14(17)19(24)22-16/h1-9H,10H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8633 kcal/mol

Physical Properties
Molecular Weight: 320.323 g/mol	logS: -5.79626	SlogP: 3.741	Reactive groups: 0

Topological Properties
Globularity: 0.119223	Sterimol/B1: 2.41138	Sterimol/B2: 3.64993	Sterimol/B3: 5.49622
Sterimol/B4: 5.69831	Sterimol/L: 16.1331

Surface and Volume Properties
Accessible surface: 542.196	Positive charged surface: 283.733	Negative charged surface: 249.137	Volume: 289.625
Hydrophobic surface: 416.537	Hydrophilic surface: 125.659

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.