MMsINC Database Search


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MMsINC code: MMs01557705

Type: Neutral
Formula: C₂₂H₁₆F₃NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C22H16F3NO3/c23-17-10-11-18(21(25)20(17)24)26-19(27)13-29-22(28)16-9-5-4-8-15(16)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.949 kcal/mol

Physical Properties
Molecular Weight: 399.368 g/mol	logS: -6.76436	SlogP: 4.49017	Reactive groups: 0

Topological Properties
Globularity: 0.0281104	Sterimol/B1: 3.04027	Sterimol/B2: 3.60491	Sterimol/B3: 3.70733
Sterimol/B4: 6.85383	Sterimol/L: 20.9692

Surface and Volume Properties
Accessible surface: 651.113	Positive charged surface: 344.722	Negative charged surface: 306.391	Volume: 347.125
Hydrophobic surface: 581.589	Hydrophilic surface: 69.524

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.