MMsINC Database Search


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MMsINC code: MMs01459191

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)(CCC)c1ccccc1

InChI:

InChI=1/C19H19FN2O2/c1-2-12-19(15-9-4-3-5-10-15)17(23)22(18(24)21-19)13-14-8-6-7-11-16(14)20/h3-11H,2,12-13H2,1H3,(H,21,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6277 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -4.90947	SlogP: 4.151	Reactive groups: 0

Topological Properties
Globularity: 0.151627	Sterimol/B1: 2.56529	Sterimol/B2: 3.46999	Sterimol/B3: 4.3049
Sterimol/B4: 9.26832	Sterimol/L: 13.9902

Surface and Volume Properties
Accessible surface: 552.304	Positive charged surface: 320.271	Negative charged surface: 232.033	Volume: 312.625
Hydrophobic surface: 457.439	Hydrophilic surface: 94.865

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.