(E)-4-[[6-(7-chloroquinazolin-4-yl)oxypyridin-3-yl]amino]-4-oxobut-2-enoic acid

Formula:C17H11N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[[6-(7-chloroquinazolin-4-yl)oxypyridin-3-yl]amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[[6-(7-chloroquinazolin-4-yl)oxypyridin-3-yl]amino]-4-oxobut-2-enoic acid
MolecularFormula	C17H11N4O4Cl
Smiles	OC(/C=C/C(Nc(cc1)cnc1Oc1c(ccc(Cl)c2)c2ncn1)=O)=O
InChI	InChI=1S/C17H11ClN4O4/c18-10-1-3-12-13(7-10)20-9-21-17(12)26-15-5-2-11(8-19-15)22-14(23)4-6-16(24)25/h1-9H,(H,22,23)(H,24,25)
InChIK	LWVDNUDCNQDWIX-UHFFFAOYSA-N
TotalMolweight	370.751
Molweight	370.751
MonoisotopicMass	370.046883
CLogP	2.2008
CLogS	-5.53
H Acceptors	8
H Donors	2
TotalSurfaceArea	269.13
Relative PSA	0.3476
PolarSurfaceArea	114.3
Druglikeness	1.1879
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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