5-morpholin-4-ylsulfonyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Formula:C25H30N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-morpholin-4-ylsulfonyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione is not a drug-like molecule.

MolName	5-morpholin-4-ylsulfonyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione
MolecularFormula	C25H30N4O4S2
Smiles	O=S(c(cc1)cc(N2CN3CCN(C/C=C/c4ccccc4)CC3)c1OC2=S)(N1CCOCC1)=O
InChI	InChI=1S/C25H30N4O4S2/c30-35(31,28-15-17-32-18-16-28)22-8-9-24-23(19-22)29(25(34)33-24)20-27-13-11-26(12-14-27)10-4-7-21-5-2-1-3-6-21/h1-9,19H,10-18,20H2
InChIK	JBRUHCBFQTUUAU-UHFFFAOYSA-N
TotalMolweight	514.669
Molweight	514.669
MonoisotopicMass	514.170846
CLogP	2.8401
CLogS	-3.143
H Acceptors	8
TotalSurfaceArea	379.11
Relative PSA	0.23946
PolarSurfaceArea	106.03
Druglikeness	5.2895
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
Symmetricatoms	7
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

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