(E)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C24H17N3O2BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C24H17N3O2BrClS
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl
InChI	InChI=1S/C24H17BrClN3O2S/c25-21-12-18(31-24(21)32-19-7-5-17(26)6-8-19)11-16(13-27)23(30)28-10-9-15-14-29-22-4-2-1-3-20(15)22/h1-8,11-12,14,29H,9-10H2,(H,28,30)
InChIK	OURMINFUNSPSKA-UHFFFAOYSA-N
TotalMolweight	526.841
Molweight	526.841
MonoisotopicMass	524.991335
CLogP	5.6056
CLogS	-7.024
H Acceptors	5
H Donors	2
TotalSurfaceArea	361.33
Relative PSA	0.23151
PolarSurfaceArea	107.12
Druglikeness	-5.9422
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (E)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

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