MMsINC Database Search


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MMsINC code: MMs01664220

Type: Neutral
Formula: C₂₂H₁₉FN₂O₃

SMILES:

Fc1ccc(Nc2ccccc2C(=O)NCc2ccc(cc2)C(OC)=O)cc1

InChI:

InChI=1/C22H19FN2O3/c1-28-22(27)16-8-6-15(7-9-16)14-24-21(26)19-4-2-3-5-20(19)25-18-12-10-17(23)11-13-18/h2-13,25H,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.922 kcal/mol

Physical Properties
Molecular Weight: 378.403 g/mol	logS: -5.59594	SlogP: 4.5523	Reactive groups: 0

Topological Properties
Globularity: 0.0664057	Sterimol/B1: 3.98815	Sterimol/B2: 4.07489	Sterimol/B3: 5.72247
Sterimol/B4: 5.83639	Sterimol/L: 18.1895

Surface and Volume Properties
Accessible surface: 661.904	Positive charged surface: 402.123	Negative charged surface: 259.781	Volume: 358.125
Hydrophobic surface: 573.533	Hydrophilic surface: 88.371

Pharmacophoric Properties
Hydrogen bond donors: 2	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.