(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]prop-2-enamide

Formula:C26H21N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]prop-2-enamide
MolecularFormula	C26H21N2O3FS
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NCCSc1c(-c(cc2)ccc2F)[nH]c2c1cccc2
InChI	InChI=1S/C26H21FN2O3S/c27-19-9-7-18(8-10-19)25-26(20-3-1-2-4-21(20)29-25)33-14-13-28-24(30)12-6-17-5-11-22-23(15-17)32-16-31-22/h1-12,15,29H,13-14,16H2,(H,28,30)
InChIK	CASMZFJSDDAWBY-UHFFFAOYSA-N
TotalMolweight	460.528
Molweight	460.528
MonoisotopicMass	460.125691
CLogP	5.4923
CLogS	-7.331
H Acceptors	5
H Donors	2
TotalSurfaceArea	344.28
Relative PSA	0.22069
PolarSurfaceArea	88.65
Druglikeness	0.14543
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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