MMsINC Database Search


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MMsINC code: MMs00180479

Type: Neutral
Formula: C₂₂H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)C(N1C=CC=CC1=O)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C22H19FN2O3/c1-15(16-7-3-2-4-8-16)24-22(28)20(25-14-6-5-9-19(25)26)21(27)17-10-12-18(23)13-11-17/h2-15,20H,1H3,(H,24,28)/t15-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.295 kcal/mol

Physical Properties
Molecular Weight: 378.403 g/mol	logS: -5.24626	SlogP: 3.262	Reactive groups: 0

Topological Properties
Globularity: 0.160868	Sterimol/B1: 1.99734	Sterimol/B2: 3.93826	Sterimol/B3: 6.42857
Sterimol/B4: 7.94403	Sterimol/L: 15.8277

Surface and Volume Properties
Accessible surface: 601.02	Positive charged surface: 299.481	Negative charged surface: 301.539	Volume: 352.625
Hydrophobic surface: 523.086	Hydrophilic surface: 77.934

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.