MMsINC Database Search


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MMsINC code: MMs00797296

Type: Neutral
Formula: C₂₂H₁₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)C(NC(=O)c2ccc(cc2)C)c2ccccc2)cc1

InChI:

InChI=1/C22H19FN2O2/c1-15-7-9-17(10-8-15)21(26)25-20(16-5-3-2-4-6-16)22(27)24-19-13-11-18(23)12-14-19/h2-14,20H,1H3,(H,24,27)(H,25,26)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.128 kcal/mol

Physical Properties
Molecular Weight: 362.404 g/mol	logS: -6.06424	SlogP: 4.33942	Reactive groups: 0

Topological Properties
Globularity: 0.0702424	Sterimol/B1: 3.6451	Sterimol/B2: 4.21667	Sterimol/B3: 4.33525
Sterimol/B4: 8.48275	Sterimol/L: 17.7665

Surface and Volume Properties
Accessible surface: 641.357	Positive charged surface: 337.45	Negative charged surface: 303.907	Volume: 347.875
Hydrophobic surface: 582.058	Hydrophilic surface: 59.299

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.