2-[[5-[(4-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone

Formula:C15H16N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-[(4-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone is a drug-like molecule.

MolName	2-[[5-[(4-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
MolecularFormula	C15H16N3O3BrS
Smiles	O=C(CSc1nnc(COc(cc2)ccc2Br)o1)N1CCCC1
InChI	InChI=1S/C15H16BrN3O3S/c16-11-3-5-12(6-4-11)21-9-13-17-18-15(22-13)23-10-14(20)19-7-1-2-8-19/h3-6H,1-2,7-10H2
InChIK	HDOLNKDTSRNHKZ-UHFFFAOYSA-N
TotalMolweight	398.28
Molweight	398.28
MonoisotopicMass	397.009573
CLogP	2.7557
CLogS	-3.299
H Acceptors	6
TotalSurfaceArea	263.46
Relative PSA	0.30414
PolarSurfaceArea	93.76
Druglikeness	2.8584
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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