(E)-3-(1-benzylindol-3-yl)-2-cyano-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

Formula:C33H24N4OS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(1-benzylindol-3-yl)-2-cyano-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1-benzylindol-3-yl)-2-cyano-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C33H24N4OS
Smiles	N#C/C(/C(Nc1ncc(Cc2cccc3ccccc23)s1)=O)=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C33H24N4OS/c34-19-26(17-27-22-37(21-23-9-2-1-3-10-23)31-16-7-6-15-30(27)31)32(38)36-33-35-20-28(39-33)18-25-13-8-12-24-11-4-5-14-29(24)25/h1-17,20,22H,18,21H2,(H,35,36,38)
InChIK	PORAMRBTAGGHBF-UHFFFAOYSA-N
TotalMolweight	524.647
Molweight	524.647
MonoisotopicMass	524.167081
CLogP	7.2358
CLogS	-7.908
H Acceptors	5
H Donors	1
TotalSurfaceArea	408.79
Relative PSA	0.18655
PolarSurfaceArea	98.95
Druglikeness	1.044
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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