(E)-3-phenyl-N-[4-[4-[4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]phenyl]sulfonylphenyl]phenyl]prop-2-enamide

Formula:C42H32N2O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-phenyl-N-[4-[4-[4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]phenyl]sulfonylphenyl]phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[4-[4-[4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]phenyl]sulfonylphenyl]phenyl]prop-2-enamide
MolecularFormula	C42H32N2O4S
Smiles	O=C(/C=C/c1ccccc1)Nc(cc1)ccc1-c(cc1)ccc1S(c(cc1)ccc1-c(cc1)ccc1NC(/C=C/c1ccccc1)=O)(=O)=O
InChI	InChI=1S/C42H32N2O4S/c45-41(29-11-31-7-3-1-4-8-31)43-37-21-13-33(14-22-37)35-17-25-39(26-18-35)49(47,48)40-27-19-36(20-28-40)34-15-23-38(24-16-34)44-42(46)30-12-32-9-5-2-6-10-32/h1-30H,(H,43,45)(H,44,46)
InChIK	IATXAYDMHQJYGX-UHFFFAOYSA-N
TotalMolweight	660.792
Molweight	660.792
MonoisotopicMass	660.208278
CLogP	8.6366
CLogS	-11.088
H Acceptors	6
H Donors	2
TotalSurfaceArea	512.06
Relative PSA	0.15151
PolarSurfaceArea	100.72
Druglikeness	-6.3635
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67347
Fragments	1
Non HAtoms	49
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	36
Sp3Atoms	1
Symmetricatoms	30
Amides	2
StereoCon

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