MMsINC Database Search


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MMsINC code: MMs01462987

Type: Neutral
Formula: C₂₂H₁₈FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)COc1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C22H18FNO3/c23-19-10-6-16(7-11-19)14-24-21(25)15-27-20-12-8-18(9-13-20)22(26)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.351 kcal/mol

Physical Properties
Molecular Weight: 363.388 g/mol	logS: -5.74352	SlogP: 4.0183	Reactive groups: 0

Topological Properties
Globularity: 0.029306	Sterimol/B1: 2.50716	Sterimol/B2: 3.52068	Sterimol/B3: 3.86023
Sterimol/B4: 8.40597	Sterimol/L: 19.6316

Surface and Volume Properties
Accessible surface: 651.14	Positive charged surface: 353.577	Negative charged surface: 297.563	Volume: 342.75
Hydrophobic surface: 550.227	Hydrophilic surface: 100.913

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.