(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

Formula:C26H24N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
MolecularFormula	C26H24N4O6
Smiles	N#C/C(/C(NC(CCC1)CC1NC(/C(/C#N)=C/c(cc1)cc(O)c1O)=O)=O)=C\c(cc1)cc(O)c1O
InChI	InChI=1S/C26H24N4O6/c27-13-17(8-15-4-6-21(31)23(33)10-15)25(35)29-19-2-1-3-20(12-19)30-26(36)18(14-28)9-16-5-7-22(32)24(34)11-16/h4-11,19-20,31-34H,1-3,12H2,(H,29,35)(H,30,36)
InChIK	SWJUFVBQHSTZOA-UHFFFAOYSA-N
TotalMolweight	488.499
Molweight	488.499
MonoisotopicMass	488.169586
CLogP	2.2358
CLogS	-4.34
H Acceptors	10
H Donors	6
TotalSurfaceArea	376.22
Relative PSA	0.34161
PolarSurfaceArea	186.7
Druglikeness	-3.7026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	17
Amides	2
StereoCon	unknown chirality

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1 - (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide | 2 - (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

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