(2R)-3-amino-2-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-3-enenitrile

Formula:C14H11N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2R)-3-amino-2-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-3-enenitrile is a drug-like molecule.

MolName	(2R)-3-amino-2-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-3-enenitrile
MolecularFormula	C14H11N4O2BrS
Smiles	C=C([C@@H](C(CSc1nnc(-c(cccc2)c2Br)o1)=O)C#N)N
InChI	InChI=1S/C14H11BrN4O2S/c1-8(17)10(6-16)12(20)7-22-14-19-18-13(21-14)9-4-2-3-5-11(9)15/h2-5,10H,1,7,17H2/t10-/m0/s1
InChIK	FQWUVVJXSJNOMP-JTQLQIEISA-N
TotalMolweight	379.237
Molweight	379.237
MonoisotopicMass	377.978607
CLogP	2.4503
CLogS	-5.744
H Acceptors	6
H Donors	1
TotalSurfaceArea	253.34
Relative PSA	0.37661
PolarSurfaceArea	131.1
Druglikeness	-6.6872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (2R)-3-amino-2-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-3-enenitrile | 2 - (2R)-3-amino-2-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-3-enenitrile

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