benzyl 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate

Formula:C16H14N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate is a drug-like molecule.

MolName	benzyl 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
MolecularFormula	C16H14N2O3S
Smiles	Cc1cc(C(N(CC(OCc2ccccc2)=O)C=N2)=O)c2s1
InChI	InChI=1S/C16H14N2O3S/c1-11-7-13-15(22-11)17-10-18(16(13)20)8-14(19)21-9-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3
InChIK	MNSBWKKAZACMQB-UHFFFAOYSA-N
TotalMolweight	314.364
Molweight	314.364
MonoisotopicMass	314.072513
CLogP	2.19
CLogS	-3.572
H Acceptors	5
TotalSurfaceArea	235.8
Relative PSA	0.30322
PolarSurfaceArea	87.21
Druglikeness	3.6711
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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