2-[[5-cyclopropyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide

Formula:C20H26N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[5-cyclopropyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide is a drug-like molecule.

MolName	2-[[5-cyclopropyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
MolecularFormula	C20H26N4O2S
Smiles	Cc1cc(NC(CSc2nnc(C3CC3)n2C[C@H]2OCCC2)=O)c(C)cc1
InChI	InChI=1S/C20H26N4O2S/c1-13-5-6-14(2)17(10-13)21-18(25)12-27-20-23-22-19(15-7-8-15)24(20)11-16-4-3-9-26-16/h5-6,10,15-16H,3-4,7-9,11-12H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIK	MYMAIAIDYQFRDP-INIZCTEOSA-N
TotalMolweight	386.518
Molweight	386.518
MonoisotopicMass	386.177646
CLogP	3.0023
CLogS	-3.371
H Acceptors	6
H Donors	1
TotalSurfaceArea	295.28
Relative PSA	0.27364
PolarSurfaceArea	94.34
Druglikeness	3.2894
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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1 - 2-[[5-cyclopropyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide | 2 - 2-[[5-cyclopropyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide

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