MMsINC Database Search


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MMsINC code: MMs01942792

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2c3cc(OC)ccc3n(CC)c2C)cc1

InChI:

InChI=1/C19H19FN2O2/c1-4-22-12(2)18(16-11-15(24-3)9-10-17(16)22)19(23)21-14-7-5-13(20)6-8-14/h5-11H,4H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9136 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -4.52474	SlogP: 4.63602	Reactive groups: 0

Topological Properties
Globularity: 0.0654996	Sterimol/B1: 2.37054	Sterimol/B2: 2.51858	Sterimol/B3: 4.42206
Sterimol/B4: 10.1735	Sterimol/L: 15.2217

Surface and Volume Properties
Accessible surface: 577.774	Positive charged surface: 350.257	Negative charged surface: 223.154	Volume: 315.5
Hydrophobic surface: 506.087	Hydrophilic surface: 71.687

Pharmacophoric Properties
Hydrogen bond donors: 1	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.