(E)-N-(4-bromophenyl)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

Formula:C25H18N3O2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-(4-bromophenyl)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(4-bromophenyl)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
MolecularFormula	C25H18N3O2Br
Smiles	N#C/C(/C(Nc(cc1)ccc1Br)=O)=C\c1c[nH]c(cc2)c1cc2OCc1ccccc1
InChI	InChI=1S/C25H18BrN3O2/c26-20-6-8-21(9-7-20)29-25(30)18(14-27)12-19-15-28-24-11-10-22(13-23(19)24)31-16-17-4-2-1-3-5-17/h1-13,15,28H,16H2,(H,29,30)
InChIK	NVEZRSAKRULCPI-UHFFFAOYSA-N
TotalMolweight	472.341
Molweight	472.341
MonoisotopicMass	471.058238
CLogP	5.101
CLogS	-6.47
H Acceptors	5
H Donors	2
TotalSurfaceArea	334.97
Relative PSA	0.18524
PolarSurfaceArea	77.91
Druglikeness	-3.7736
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6129
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	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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