(E)-2-cyano-3-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C29H23N4OF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C29H23N4OF
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c(cc1)cc2c1n(Cc1cccc(F)c1)cc2
InChI	InChI=1S/C29H23FN4O/c30-25-5-3-4-21(16-25)19-34-13-11-22-14-20(8-9-28(22)34)15-24(17-31)29(35)32-12-10-23-18-33-27-7-2-1-6-26(23)27/h1-9,11,13-16,18,33H,10,12,19H2,(H,32,35)
InChIK	UYFYEEVZXYFSGI-UHFFFAOYSA-N
TotalMolweight	462.527
Molweight	462.527
MonoisotopicMass	462.185589
CLogP	4.7977
CLogS	-5.515
H Acceptors	5
H Donors	2
TotalSurfaceArea	364.01
Relative PSA	0.16186
PolarSurfaceArea	73.61
Druglikeness	-1.0712
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-2-cyano-3-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (E)-2-cyano-3-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

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