MMsINC Database Search


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MMsINC code: MMs00504139

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CCNC(=O)C1CC(=O)N(C1)c1ccccc1

InChI:

InChI=1/C19H19FN2O2/c20-16-8-6-14(7-9-16)10-11-21-19(24)15-12-18(23)22(13-15)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H,21,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2892 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -3.56514	SlogP: 2.53747	Reactive groups: 0

Topological Properties
Globularity: 0.0814576	Sterimol/B1: 2.20387	Sterimol/B2: 3.54361	Sterimol/B3: 4.58187
Sterimol/B4: 6.63454	Sterimol/L: 17.8352

Surface and Volume Properties
Accessible surface: 590.334	Positive charged surface: 341.111	Negative charged surface: 249.223	Volume: 311.5
Hydrophobic surface: 517.85	Hydrophilic surface: 72.484

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.