(E)-4-[4-[6-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobut-2-enoic acid

Formula:C30H22N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-[6-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobut-2-enoic acid is not a drug-like molecule.

MolName	(E)-4-[4-[6-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobut-2-enoic acid
MolecularFormula	C30H22N4O6
Smiles	OC(/C=C/C(Nc(cc1)ccc1-c1cc(-c(cc2)ccc2NC(/C=C/C(O)=O)=O)nc(-c2ccccc2)n1)=O)=O
InChI	InChI=1S/C30H22N4O6/c35-26(14-16-28(37)38)31-22-10-6-19(7-11-22)24-18-25(34-30(33-24)21-4-2-1-3-5-21)20-8-12-23(13-9-20)32-27(36)15-17-29(39)40/h1-18H,(H,31,35)(H,32,36)(H,37,38)(H,39,40)
InChIK	WFNZHDWWGUDTLB-UHFFFAOYSA-N
TotalMolweight	534.527
Molweight	534.527
MonoisotopicMass	534.153936
CLogP	3.4078
CLogS	-6.571
H Acceptors	10
H Donors	4
TotalSurfaceArea	409.68
Relative PSA	0.30077
PolarSurfaceArea	158.58
Druglikeness	1.1378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.575
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	20
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[4-[6-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[4-[6-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobut-2-enoic acid

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