N-(4-bromophenyl)-4-[[6-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide

Formula:C30H22N3O2BrS2 Mutagenic:low Tumorigenic:high Reproductive Effective:none N-(4-bromophenyl)-4-[[6-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide is not a drug-like molecule.

MolName	N-(4-bromophenyl)-4-[[6-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide
MolecularFormula	C30H22N3O2BrS2
Smiles	O=C(/C=C/c1ccccc1)Nc(cc1)cc2c1nc(SCc(cc1)ccc1C(Nc(cc1)ccc1Br)=O)s2
InChI	InChI=1S/C30H22BrN3O2S2/c31-23-11-13-24(14-12-23)33-29(36)22-9-6-21(7-10-22)19-37-30-34-26-16-15-25(18-27(26)38-30)32-28(35)17-8-20-4-2-1-3-5-20/h1-18H,19H2,(H,32,35)(H,33,36)
InChIK	JQANCDJYVOINGM-UHFFFAOYSA-N
TotalMolweight	600.56
Molweight	600.56
MonoisotopicMass	599.033678
CLogP	7.4723
CLogS	-9.109
H Acceptors	5
H Donors	2
TotalSurfaceArea	416.64
Relative PSA	0.23478
PolarSurfaceArea	124.63
Druglikeness	-1.6198
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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