(E)-4-[4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfanylphenoxy]phenyl]sulfanylanilino]-4-oxobut-2-enoic acid

Formula:C32H24N2O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-4-[4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfanylphenoxy]phenyl]sulfanylanilino]-4-oxobut-2-enoic acid is not a drug-like molecule.

MolName	(E)-4-[4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfanylphenoxy]phenyl]sulfanylanilino]-4-oxobut-2-enoic acid
MolecularFormula	C32H24N2O7S2
Smiles	OC(/C=C/C(Nc(cc1)ccc1Sc(cc1)ccc1Oc(cc1)ccc1Sc(cc1)ccc1NC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C32H24N2O7S2/c35-29(17-19-31(37)38)33-21-1-9-25(10-2-21)42-27-13-5-23(6-14-27)41-24-7-15-28(16-8-24)43-26-11-3-22(4-12-26)34-30(36)18-20-32(39)40/h1-20H,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
InChIK	FZPNFXFNOHYAEF-UHFFFAOYSA-N
TotalMolweight	612.682
Molweight	612.682
MonoisotopicMass	612.102493
CLogP	4.8654
CLogS	-7.743
H Acceptors	9
H Donors	4
TotalSurfaceArea	457.14
Relative PSA	0.31995
PolarSurfaceArea	192.63
Druglikeness	1.4725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.72093
Fragments	1
Non HAtoms	43
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	12
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	25
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (E)-4-[4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfanylphenoxy]phenyl]sulfanylanilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfanylphenoxy]phenyl]sulfanylanilino]-4-oxobut-2-enoic acid

Request More Details | (E)-4-[4-[4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfanylphenoxy]phenyl]sulfanylanilino]-4-oxobut-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments