MMsINC Database Search


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MMsINC code: MMs00520158

Type: Neutral
Formula: C₂₁H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C21H17FN2O2/c22-16-12-10-15(11-13-16)14-20(25)24-19-9-5-4-8-18(19)21(26)23-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.939 kcal/mol

Physical Properties
Molecular Weight: 348.377 g/mol	logS: -5.68131	SlogP: 4.25917	Reactive groups: 0

Topological Properties
Globularity: 0.0420386	Sterimol/B1: 2.62516	Sterimol/B2: 3.47967	Sterimol/B3: 4.01239
Sterimol/B4: 9.32208	Sterimol/L: 18.217

Surface and Volume Properties
Accessible surface: 615.45	Positive charged surface: 342.163	Negative charged surface: 273.287	Volume: 329.75
Hydrophobic surface: 559.987	Hydrophilic surface: 55.463

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.