MMsINC Database Search


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MMsINC code: MMs01246941

Type: Neutral
Formula: C₂₂H₁₆FNO₄

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1

InChI:

InChI=1/C22H16FNO4/c23-16-10-12-17(13-11-16)24-20(25)14-28-22(27)19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.373 kcal/mol

Physical Properties
Molecular Weight: 377.371 g/mol	logS: -6.13083	SlogP: 3.8522	Reactive groups: 0

Topological Properties
Globularity: 0.0520113	Sterimol/B1: 2.45591	Sterimol/B2: 3.17658	Sterimol/B3: 5.23783
Sterimol/B4: 9.50093	Sterimol/L: 17.0403

Surface and Volume Properties
Accessible surface: 638.53	Positive charged surface: 339.954	Negative charged surface: 298.576	Volume: 344.875
Hydrophobic surface: 543.26	Hydrophilic surface: 95.27

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.