MMsINC Database Search


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MMsINC code: MMs01460283

Type: Neutral
Formula: C₂₂H₁₇F₂NO₃

SMILES:

Fc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C22H17F2NO3/c23-17-10-11-19(24)20(13-17)25-21(26)14-28-22(27)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.197 kcal/mol

Physical Properties
Molecular Weight: 381.378 g/mol	logS: -6.46938	SlogP: 4.35107	Reactive groups: 0

Topological Properties
Globularity: 0.0282239	Sterimol/B1: 3.07122	Sterimol/B2: 3.60382	Sterimol/B3: 3.70334
Sterimol/B4: 6.84029	Sterimol/L: 20.7111

Surface and Volume Properties
Accessible surface: 648.202	Positive charged surface: 353.408	Negative charged surface: 294.794	Volume: 344.25
Hydrophobic surface: 578.678	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.