MMsINC Database Search


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MMsINC code: MMs01175930

Type: Neutral
Formula: C₂₂H₁₇FN₂OS

SMILES:

S(Cc1ccccc1C)C1=Nc2c(cccc2)C(=O)N1c1ccccc1F

InChI:

InChI=1/C22H17FN2OS/c1-15-8-2-3-9-16(15)14-27-22-24-19-12-6-4-10-17(19)21(26)25(22)20-13-7-5-11-18(20)23/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.386 kcal/mol

Physical Properties
Molecular Weight: 376.455 g/mol	logS: -7.49396	SlogP: 5.98182	Reactive groups: 0

Topological Properties
Globularity: 0.140394	Sterimol/B1: 2.1884	Sterimol/B2: 5.13469	Sterimol/B3: 6.24159
Sterimol/B4: 8.49271	Sterimol/L: 15.921

Surface and Volume Properties
Accessible surface: 621.624	Positive charged surface: 328.013	Negative charged surface: 293.612	Volume: 351.125
Hydrophobic surface: 572.09	Hydrophilic surface: 49.534

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.