(3aS,6aS)-3-acetyl-5-(2-methoxyphenyl)-1-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

Formula:C21H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3aS,6aS)-3-acetyl-5-(2-methoxyphenyl)-1-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione is a drug-like molecule.

MolName	(3aS,6aS)-3-acetyl-5-(2-methoxyphenyl)-1-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
MolecularFormula	C21H19N3O4
Smiles	CC(C([C@H]([C@H]1C(N2c(cccc3)c3OC)=O)C2=O)=NN1c1ccc(C)cc1)=O
InChI	InChI=1S/C21H19N3O4/c1-12-8-10-14(11-9-12)24-19-17(18(22-24)13(2)25)20(26)23(21(19)27)15-6-4-5-7-16(15)28-3/h4-11,17,19H,1-3H3/t17-,19+/m1/s1
InChIK	YAHCIMQQVQPFDH-MJGOQNOKSA-N
TotalMolweight	377.399
Molweight	377.399
MonoisotopicMass	377.137557
CLogP	2.0091
CLogS	-3.661
H Acceptors	7
TotalSurfaceArea	274.62
Relative PSA	0.24663
PolarSurfaceArea	79.28
Druglikeness	5.2683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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