MMsINC Database Search


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MMsINC code: MMs01252557

Type: Neutral
Formula: C₁₉H₁₉FN₂O₃

SMILES:

Fc1ccc(OCCN2C(=O)C(NC2=O)(CC)c2ccccc2)cc1

InChI:

InChI=1/C19H19FN2O3/c1-2-19(14-6-4-3-5-7-14)17(23)22(18(24)21-19)12-13-25-16-10-8-15(20)9-11-16/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)=54.5777 kcal/mol

Physical Properties
Molecular Weight: 342.37 g/mol	logS: -4.47107	SlogP: 3.3733	Reactive groups: 0

Topological Properties
Globularity: 0.135898	Sterimol/B1: 2.63475	Sterimol/B2: 3.34646	Sterimol/B3: 4.23767
Sterimol/B4: 8.73188	Sterimol/L: 14.7309

Surface and Volume Properties
Accessible surface: 573.05	Positive charged surface: 322.012	Negative charged surface: 251.037	Volume: 319.75
Hydrophobic surface: 481.622	Hydrophilic surface: 91.428

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.