MMsINC Database Search


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MMsINC code: MMs01246702

Type: Neutral
Formula: C₂₂H₁₆FNO₄

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.957 kcal/mol

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

Topological Properties
Globularity: 0.0519466	Sterimol/B1: 2.4611	Sterimol/B2: 3.17445	Sterimol/B3: 5.24543
Sterimol/B4: 9.50697	Sterimol/L: 16.7812

Surface and Volume Properties
Accessible surface: 640.897	Positive charged surface: 344.914	Negative charged surface: 295.983	Volume: 345
Hydrophobic surface: 548.262	Hydrophilic surface: 92.635

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.