(E)-N-benzyl-2-cyano-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide

Formula:C27H21N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-2-cyano-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-benzyl-2-cyano-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide
MolecularFormula	C27H21N4O2F
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2
InChI	InChI=1S/C27H21FN4O2/c28-22-10-12-23(13-11-22)31-26(33)18-32-17-21(24-8-4-5-9-25(24)32)14-20(15-29)27(34)30-16-19-6-2-1-3-7-19/h1-14,17H,16,18H2,(H,30,34)(H,31,33)
InChIK	ZHXMOPWLEBBMJP-UHFFFAOYSA-N
TotalMolweight	452.488
Molweight	452.488
MonoisotopicMass	452.164854
CLogP	3.6128
CLogS	-5.067
H Acceptors	6
H Donors	2
TotalSurfaceArea	355.29
Relative PSA	0.19542
PolarSurfaceArea	86.92
Druglikeness	-1.025
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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