(E)-2-cyano-N-(3-iodophenyl)-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

Formula:C25H18N3O2I Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-iodophenyl)-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3-iodophenyl)-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
MolecularFormula	C25H18N3O2I
Smiles	N#C/C(/C(Nc1cccc(I)c1)=O)=C\c1c[nH]c(cc2)c1cc2OCc1ccccc1
InChI	InChI=1S/C25H18IN3O2/c26-20-7-4-8-21(12-20)29-25(30)18(14-27)11-19-15-28-24-10-9-22(13-23(19)24)31-16-17-5-2-1-3-6-17/h1-13,15,28H,16H2,(H,29,30)
InChIK	SJCFLVKSCGCUKZ-UHFFFAOYSA-N
TotalMolweight	519.337
Molweight	519.337
MonoisotopicMass	519.044375
CLogP	4.8129
CLogS	-6.652
H Acceptors	5
H Donors	2
TotalSurfaceArea	342.62
Relative PSA	0.1811
PolarSurfaceArea	77.91
Druglikeness	-1.4708
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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