5-amino-2-cyclohexyl-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C20H19N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-2-cyclohexyl-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-2-cyclohexyl-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H19N5OS
Smiles	NC(N1N=C(C2CCCCC2)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C20H19N5OS/c21-17-15(10-13-11-22-16-9-5-4-8-14(13)16)18(26)23-20-25(17)24-19(27-20)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7,21H2
InChIK	YPLXHUNJPOMMDL-UHFFFAOYSA-N
TotalMolweight	377.471
Molweight	377.471
MonoisotopicMass	377.13103
CLogP	2.0571
CLogS	-5.13
H Acceptors	6
H Donors	1
TotalSurfaceArea	272.95
Relative PSA	0.30731
PolarSurfaceArea	108.71
Druglikeness	0.47894
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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