MMsINC Database Search


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MMsINC code: MMs01557642

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)Nc2cc(ccc2)C(=O)C)cc1

InChI:

InChI=1/C23H18FNO4/c1-15(26)18-3-2-4-20(13-18)25-22(27)14-29-21-11-7-17(8-12-21)23(28)16-5-9-19(24)10-6-16/h2-13H,14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.297 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.11175	SlogP: 4.2768	Reactive groups: 0

Topological Properties
Globularity: 0.00815423	Sterimol/B1: 2.49513	Sterimol/B2: 2.56252	Sterimol/B3: 2.94184
Sterimol/B4: 7.14501	Sterimol/L: 21.2824

Surface and Volume Properties
Accessible surface: 673.564	Positive charged surface: 355.197	Negative charged surface: 318.366	Volume: 361.5
Hydrophobic surface: 543.819	Hydrophilic surface: 129.745

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.