(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C26H17N3O2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C26H17N3O2F6
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChI	InChI=1S/C26H17F6N3O2/c27-25(28,29)18-9-16(10-19(12-18)26(30,31)32)23-6-5-20(37-23)11-17(13-33)24(36)34-8-7-15-14-35-22-4-2-1-3-21(15)22/h1-6,9-12,14,35H,7-8H2,(H,34,36)
InChIK	AUTPODSUHIKNDA-UHFFFAOYSA-N
TotalMolweight	517.428
Molweight	517.428
MonoisotopicMass	517.122495
CLogP	5.8027
CLogS	-7.239
H Acceptors	5
H Donors	2
TotalSurfaceArea	368.71
Relative PSA	0.17944
PolarSurfaceArea	81.82
Druglikeness	-7.2186
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

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