MMsINC Database Search


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MMsINC code: MMs00650595

Type: Neutral
Formula: C₂₂H₁₈FNO₃

SMILES:

Fc1ccc(cc1)C(=O)COc1cc(NC(=O)c2ccccc2C)ccc1

InChI:

InChI=1/C22H18FNO3/c1-15-5-2-3-8-20(15)22(26)24-18-6-4-7-19(13-18)27-14-21(25)16-9-11-17(23)12-10-16/h2-13H,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.623 kcal/mol

Physical Properties
Molecular Weight: 363.388 g/mol	logS: -6.2734	SlogP: 4.64812	Reactive groups: 0

Topological Properties
Globularity: 0.0086465	Sterimol/B1: 2.44567	Sterimol/B2: 2.55249	Sterimol/B3: 3.15923
Sterimol/B4: 8.20018	Sterimol/L: 21.0736

Surface and Volume Properties
Accessible surface: 634.422	Positive charged surface: 335.684	Negative charged surface: 298.737	Volume: 342.375
Hydrophobic surface: 564.271	Hydrophilic surface: 70.151

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.