MMsINC Database Search


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MMsINC code: MMs03197801

Type: Neutral
Formula: C₂₃H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C23H21FN2O2/c24-19-12-10-18(11-13-19)16-22(27)26-21-9-5-4-8-20(21)23(28)25-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0014 kcal/mol

Physical Properties
Molecular Weight: 376.431 g/mol	logS: -5.68682	SlogP: 3.97934	Reactive groups: 0

Topological Properties
Globularity: 0.0451808	Sterimol/B1: 2.27851	Sterimol/B2: 3.40414	Sterimol/B3: 3.84725
Sterimol/B4: 9.21321	Sterimol/L: 19.7411

Surface and Volume Properties
Accessible surface: 682.491	Positive charged surface: 389.079	Negative charged surface: 293.412	Volume: 366.375
Hydrophobic surface: 620.766	Hydrophilic surface: 61.725

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

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.