[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate

Formula:C32H24N3O5F3 Mutagenic:low Tumorigenic:none Reproductive Effective:high [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate is not a drug-like molecule.

MolName	[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate
MolecularFormula	C32H24N3O5F3
Smiles	N#Cc1c(NC(COC(C(Cc2ccccc2)N/C=C/C(C(F)(F)F)=O)=O)=O)oc(-c2ccccc2)c1-c1ccccc1
InChI	InChI=1S/C32H24F3N3O5/c33-32(34,35)26(39)16-17-37-25(18-21-10-4-1-5-11-21)31(41)42-20-27(40)38-30-24(19-36)28(22-12-6-2-7-13-22)29(43-30)23-14-8-3-9-15-23/h1-17,25,37H,18,20H2,(H,38,40)/t25-/m0/s1
InChIK	SULARUBCRYWVLZ-VWLOTQADSA-N
TotalMolweight	587.553
Molweight	587.553
MonoisotopicMass	587.166806
CLogP	4.9805
CLogS	-9.135
H Acceptors	8
H Donors	2
TotalSurfaceArea	446.09
Relative PSA	0.22352
PolarSurfaceArea	121.43
Druglikeness	-33.054
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44186
Fragments	1
Non HAtoms	43
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	13
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	8
Amides	1
StereoCon	racemate

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1 - [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate | 2 - [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoate

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