3-[5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Formula:C20H23N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is a drug-like molecule.

MolName	3-[5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
MolecularFormula	C20H23N5O3S
Smiles	O=C(CCCCN(C(c(scc1)c1N1)=O)C1=O)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C20H23N5O3S/c26-17(24-12-10-23(11-13-24)16-5-1-3-8-21-16)6-2-4-9-25-19(27)18-15(7-14-29-18)22-20(25)28/h1,3,5,7-8,14H,2,4,6,9-13H2,(H,22,28)
InChIK	WOUIXFAFOGMLJZ-UHFFFAOYSA-N
TotalMolweight	413.501
Molweight	413.501
MonoisotopicMass	413.15216
CLogP	2.269
CLogS	-3.51
H Acceptors	8
H Donors	1
TotalSurfaceArea	306.41
Relative PSA	0.30208
PolarSurfaceArea	114.09
Druglikeness	4.2529
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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