(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide

Formula:C30H20N4OS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enamide
MolecularFormula	C30H20N4OS
Smiles	N#C/C(/C(Nc1nc(cccc2)c2s1)=O)=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2
InChI	InChI=1S/C30H20N4OS/c31-17-22(29(35)33-30-32-26-13-4-6-15-28(26)36-30)16-23-19-34(27-14-5-3-12-25(23)27)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2,(H,32,33,35)
InChIK	JVIVOXNHNCVCRC-UHFFFAOYSA-N
TotalMolweight	484.582
Molweight	484.582
MonoisotopicMass	484.135781
CLogP	6.5148
CLogS	-7.321
H Acceptors	5
H Donors	1
TotalSurfaceArea	369.87
Relative PSA	0.20618
PolarSurfaceArea	98.95
Druglikeness	0.28587
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	28
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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