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

Formula:C16H16N6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-phenylpiperazin-1-yl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dithione is a drug-like molecule.

MolName	2-(4-phenylpiperazin-1-yl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dithione
MolecularFormula	C16H16N6S2
Smiles	S=C(c1c(N2)nc(N(CC3)CCN3c3ccccc3)nc1)NC2=S
InChI	InChI=1S/C16H16N6S2/c23-14-12-10-17-15(18-13(12)19-16(24)20-14)22-8-6-21(7-9-22)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,18,19,20,23,24)
InChIK	FIHHTJFVJMOVKJ-UHFFFAOYSA-N
TotalMolweight	356.477
Molweight	356.477
MonoisotopicMass	356.087784
CLogP	1.6338
CLogS	-3.759
H Acceptors	6
H Donors	2
TotalSurfaceArea	267.52
Relative PSA	0.40356
PolarSurfaceArea	120.5
Druglikeness	4.6152
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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