MMsINC Database Search


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MMsINC code: MMs00659512

Type: Neutral
Formula: C₂₂H₁₉FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C22H19FN2O2/c1-15(16-9-3-2-4-10-16)24-22(27)18-12-6-8-14-20(18)25-21(26)17-11-5-7-13-19(17)23/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.571 kcal/mol

Physical Properties
Molecular Weight: 362.404 g/mol	logS: -5.89109	SlogP: 4.6645	Reactive groups: 0

Topological Properties
Globularity: 0.0659532	Sterimol/B1: 1.97154	Sterimol/B2: 3.62449	Sterimol/B3: 5.55851
Sterimol/B4: 8.06701	Sterimol/L: 17.5705

Surface and Volume Properties
Accessible surface: 638.049	Positive charged surface: 340.573	Negative charged surface: 297.477	Volume: 345.875
Hydrophobic surface: 567.188	Hydrophilic surface: 70.861

Pharmacophoric Properties
Hydrogen bond donors: 2	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.