(6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C31H21N5OS Mutagenic:none Tumorigenic:high Reproductive Effective:none (6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C31H21N5OS
Smiles	N=C(/C1=C\c2cn(Cc3cccc4ccccc34)c3c2cccc3)N2N=C(c3ccccc3)SC2=NC1=O
InChI	InChI=1S/C31H21N5OS/c32-28-26(29(37)33-31-36(28)34-30(38-31)21-10-2-1-3-11-21)17-23-19-35(27-16-7-6-15-25(23)27)18-22-13-8-12-20-9-4-5-14-24(20)22/h1-17,19,32H,18H2
InChIK	IZEBILOPROSQCD-UHFFFAOYSA-N
TotalMolweight	511.608
Molweight	511.608
MonoisotopicMass	511.14668
CLogP	5.6677
CLogS	-6.847
H Acceptors	6
H Donors	1
TotalSurfaceArea	374.44
Relative PSA	0.2125
PolarSurfaceArea	99.11
Druglikeness	6.2356
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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