2-(2,3-dihydroindol-1-yl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dithione

Formula:C14H11N5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2,3-dihydroindol-1-yl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dithione is a drug-like molecule.

MolName	2-(2,3-dihydroindol-1-yl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dithione
MolecularFormula	C14H11N5S2
Smiles	S=C(c1c(N2)nc(N(CC3)c4c3cccc4)nc1)NC2=S
InChI	InChI=1S/C14H11N5S2/c20-12-9-7-15-13(16-11(9)17-14(21)18-12)19-6-5-8-3-1-2-4-10(8)19/h1-4,7H,5-6H2,(H2,15,16,17,18,20,21)
InChIK	BZNGLAXXPOXPLH-UHFFFAOYSA-N
TotalMolweight	313.408
Molweight	313.408
MonoisotopicMass	313.045585
CLogP	2.2105
CLogS	-4.714
H Acceptors	5
H Donors	2
TotalSurfaceArea	229.7
Relative PSA	0.45455
PolarSurfaceArea	117.26
Druglikeness	1.8707
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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