N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide

Formula:C27H17N3O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide is not a drug-like molecule.

MolName	N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
MolecularFormula	C27H17N3O3S2
Smiles	N#C/C(/c1nc(-c2cccs2)c(NC(c2ccco2)=O)s1)=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C27H17N3O3S2/c28-17-19(15-18-7-4-10-21(16-18)33-20-8-2-1-3-9-20)26-29-24(23-12-6-14-34-23)27(35-26)30-25(31)22-11-5-13-32-22/h1-16H,(H,30,31)
InChIK	RSVBRBVCEUFLFW-UHFFFAOYSA-N
TotalMolweight	495.582
Molweight	495.582
MonoisotopicMass	495.071132
CLogP	5.8578
CLogS	-7.999
H Acceptors	6
H Donors	1
TotalSurfaceArea	378.26
Relative PSA	0.30101
PolarSurfaceArea	144.63
Druglikeness	-0.65231
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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