2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Formula:C22H19NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
MolecularFormula	C22H19NO6
Smiles	OCCN(C(C(C(/C=C/c1ccccc1)=O)=C1O)c(cc2)cc3c2OCO3)C1=O
InChI	InChI=1S/C22H19NO6/c24-11-10-23-20(15-7-9-17-18(12-15)29-13-28-17)19(21(26)22(23)27)16(25)8-6-14-4-2-1-3-5-14/h1-9,12,20,24,26H,10-11,13H2/t20-/m0/s1
InChIK	VNKYYWXEQZHMKJ-FQEVSTJZSA-N
TotalMolweight	393.394
Molweight	393.394
MonoisotopicMass	393.121239
CLogP	2.0358
CLogS	-3.362
H Acceptors	7
H Donors	2
TotalSurfaceArea	287.72
Relative PSA	0.26355
PolarSurfaceArea	96.3
Druglikeness	4.6431
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	racemate

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