2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-dione

Formula:C30H22N4O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-dione is not a drug-like molecule.

MolName	2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-dione
MolecularFormula	C30H22N4O2S
Smiles	O=C(c1c2c3cccc2ccc1)N(Cc(n1-c2ccccc2)nnc1SC/C=C/c1ccccc1)C3=O
InChI	InChI=1S/C30H22N4O2S/c35-28-24-17-7-13-22-14-8-18-25(27(22)24)29(36)33(28)20-26-31-32-30(34(26)23-15-5-2-6-16-23)37-19-9-12-21-10-3-1-4-11-21/h1-18H,19-20H2
InChIK	NXISCHZPXDCQKV-UHFFFAOYSA-N
TotalMolweight	502.597
Molweight	502.597
MonoisotopicMass	502.146346
CLogP	5.7172
CLogS	-8.466
H Acceptors	6
TotalSurfaceArea	377.67
Relative PSA	0.20105
PolarSurfaceArea	93.39
Druglikeness	4.2607
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Symmetricatoms	10
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-dione | 2 - 2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-dione

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