7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Formula:C16H15N5O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is not a drug-like molecule.

MolName	7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MolecularFormula	C16H15N5O7S2
Smiles	C=CC(CSC1C2NC(/C(/c3csc(N)n3)=N\OCC(O)=O)=O)=C(C(O)=O)N1C2=O
InChI	InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)
InChIK	OKBVVJOGVLARMR-UHFFFAOYSA-N
TotalMolweight	453.455
Molweight	453.455
MonoisotopicMass	453.04129
CLogP	-0.6664
CLogS	-2.532
H Acceptors	12
H Donors	4
TotalSurfaceArea	305.38
Relative PSA	0.58606
PolarSurfaceArea	238.05
Druglikeness	13.189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	14
Electronegative Atoms	14
StereoCenters	2
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	unknown chirality

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1 - 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 2 - 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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