(E)-4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]but-2-enoic acid

Formula:C18H16N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]but-2-enoic acid
MolecularFormula	C18H16N4O3S
Smiles	OC(/C=C/C(NCCNc1c(c(-c2ccccc2)cs2)c2ncn1)=O)=O
InChI	InChI=1S/C18H16N4O3S/c23-14(6-7-15(24)25)19-8-9-20-17-16-13(12-4-2-1-3-5-12)10-26-18(16)22-11-21-17/h1-7,10-11H,8-9H2,(H,19,23)(H,24,25)(H,20,21,22)
InChIK	ZLMWHZCEYXFTGF-UHFFFAOYSA-N
TotalMolweight	368.416
Molweight	368.416
MonoisotopicMass	368.094311
CLogP	1.6597
CLogS	-5.103
H Acceptors	7
H Donors	3
TotalSurfaceArea	279.87
Relative PSA	0.37303
PolarSurfaceArea	132.45
Druglikeness	2.9831
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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