(E)-2-cyano-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C24H20N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C24H20N4O2
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1cccn1-c(cc1)ccc1O
InChI	InChI=1S/C24H20N4O2/c25-15-18(14-20-4-3-13-28(20)19-7-9-21(29)10-8-19)24(30)26-12-11-17-16-27-23-6-2-1-5-22(17)23/h1-10,13-14,16,27,29H,11-12H2,(H,26,30)
InChIK	AMEVZEIMXNFZSV-UHFFFAOYSA-N
TotalMolweight	396.449
Molweight	396.449
MonoisotopicMass	396.158626
CLogP	3.0604
CLogS	-6.264
H Acceptors	6
H Donors	3
TotalSurfaceArea	315.65
Relative PSA	0.22816
PolarSurfaceArea	93.84
Druglikeness	-0.088333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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