4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-prop-2-ynyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C24H20N2O4 Mutagenic:low Tumorigenic:low Reproductive Effective:high 4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-prop-2-ynyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-prop-2-ynyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C24H20N2O4
Smiles	C#CCN(C(C(C12)C(C(O)=O)NC2c2ccc(/C=C/c3ccccc3)cc2)=O)C1=O
InChI	InChI=1S/C24H20N2O4/c1-2-14-26-22(27)18-19(23(26)28)21(24(29)30)25-20(18)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h1,3-13,18-21,25H,14H2,(H,29,30)
InChIK	AZHUSNJPBLYLSV-UHFFFAOYSA-N
TotalMolweight	400.433
Molweight	400.433
MonoisotopicMass	400.142308
CLogP	-0.4617
CLogS	-3.815
H Acceptors	6
H Donors	2
TotalSurfaceArea	301.45
Relative PSA	0.22302
PolarSurfaceArea	86.71
Druglikeness	4.3199
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-prop-2-ynyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 4,6-dioxo-1-[4-[(E)-2-phenylethenyl]phenyl]-5-prop-2-ynyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

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