(2Z)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione

Formula:C16H17N5O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (2Z)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione is a drug-like molecule.

MolName	(2Z)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione
MolecularFormula	C16H17N5O3
Smiles	NC(N(C(/C(/N1)=C/c2ccco2)=O)C1=NC1=O)=C1N1CCCCC1
InChI	InChI=1S/C16H17N5O3/c17-13-12(20-6-2-1-3-7-20)14(22)19-16-18-11(15(23)21(13)16)9-10-5-4-8-24-10/h4-5,8-9H,1-3,6-7,17H2,(H,18,19,22)
InChIK	WOJSGOACTWCHSJ-UHFFFAOYSA-N
TotalMolweight	327.343
Molweight	327.343
MonoisotopicMass	327.13314
CLogP	0.4446
CLogS	-4.318
H Acceptors	8
H Donors	2
TotalSurfaceArea	237.93
Relative PSA	0.35948
PolarSurfaceArea	104.17
Druglikeness	3.0358
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Symmetricatoms	2
Amides	1
BasicNitrogens	2
StereoCon

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