MMsINC Database Search


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MMsINC code: MMs00665888

Type: Neutral
Formula: C₂₂H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CCNC(=O)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C22H19FN2O2/c23-19-11-9-16(10-12-19)13-14-24-21(26)18-7-4-8-20(15-18)25-22(27)17-5-2-1-3-6-17/h1-12,15H,13-14H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.204 kcal/mol

Physical Properties
Molecular Weight: 362.404 g/mol	logS: -5.62535	SlogP: 4.05047	Reactive groups: 0

Topological Properties
Globularity: 0.0263404	Sterimol/B1: 3.21388	Sterimol/B2: 3.49535	Sterimol/B3: 3.87698
Sterimol/B4: 7.89366	Sterimol/L: 21.0725

Surface and Volume Properties
Accessible surface: 651.607	Positive charged surface: 351.184	Negative charged surface: 300.422	Volume: 348
Hydrophobic surface: 567.908	Hydrophilic surface: 83.699

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.