2-[3-amino-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

Formula:C22H26N6O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-amino-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is not a drug-like molecule.

MolName	2-[3-amino-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
MolecularFormula	C22H26N6O4S2
Smiles	Nc(n1CC(Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)nnc1SCCc1ccccc1
InChI	InChI=1S/C22H26N6O4S2/c23-21-25-26-22(33-15-10-17-4-2-1-3-5-17)28(21)16-20(29)24-18-6-8-19(9-7-18)34(30,31)27-11-13-32-14-12-27/h1-9H,10-16H2,(H2,23,25)(H,24,29)
InChIK	BOZWYJPXMDXVFV-UHFFFAOYSA-N
TotalMolweight	502.618
Molweight	502.618
MonoisotopicMass	502.145694
CLogP	1.5976
CLogS	-2.745
H Acceptors	10
H Donors	2
TotalSurfaceArea	366.42
Relative PSA	0.34987
PolarSurfaceArea	166.12
Druglikeness	6.1237
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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