(E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C15H18N8O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C15H18N8O3S2
Smiles	O=C(Cn1nnc(N2CCOCC2)n1)NNC(NC(/C=C/c1cccs1)=O)=S
InChI	InChI=1S/C15H18N8O3S2/c24-12(4-3-11-2-1-9-28-11)16-15(27)19-17-13(25)10-23-20-14(18-21-23)22-5-7-26-8-6-22/h1-4,9H,5-8,10H2,(H,17,25)(H2,16,19,24,27)
InChIK	CKXZRVZGZAZWSZ-UHFFFAOYSA-N
TotalMolweight	422.493
Molweight	422.493
MonoisotopicMass	422.094327
CLogP	-0.2974
CLogS	-2.532
H Acceptors	11
H Donors	3
TotalSurfaceArea	319.13
Relative PSA	0.5081
PolarSurfaceArea	186.63
Druglikeness	0.6844
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

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