(E)-4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

Formula:C19H26N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
MolecularFormula	C19H26N2O4S
Smiles	NC(c1c(NC(/C=C/C(O)=O)=O)sc2c1CCCCCCCCCC2)=O
InChI	InChI=1S/C19H26N2O4S/c20-18(25)17-13-9-7-5-3-1-2-4-6-8-10-14(13)26-19(17)21-15(22)11-12-16(23)24/h11-12H,1-10H2,(H2,20,25)(H,21,22)(H,23,24)
InChIK	MJRYERHSCVVTDL-UHFFFAOYSA-N
TotalMolweight	378.491
Molweight	378.491
MonoisotopicMass	378.161328
CLogP	4.0641
CLogS	-4.706
H Acceptors	6
H Donors	3
TotalSurfaceArea	299.38
Relative PSA	0.33172
PolarSurfaceArea	137.73
Druglikeness	-0.9942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	11
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid | 2 - (E)-4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

Request More Details | (E)-4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid

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