[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C27H24N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H24N2O7S
Smiles	O=C(COC(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C27H24N2O7S/c30-24(28-18-9-10-37(32,33)14-18)13-34-27(31)25-19-3-1-2-4-21(19)29-26-17(6-7-20(25)26)11-16-5-8-22-23(12-16)36-15-35-22/h1-5,8,11-12,18H,6-7,9-10,13-15H2,(H,28,30)/t18-/m1/s1
InChIK	DHKOKBJLEIPRHU-GOSISDBHSA-N
TotalMolweight	520.561
Molweight	520.561
MonoisotopicMass	520.130423
CLogP	2.813
CLogS	-5.693
H Acceptors	9
H Donors	1
TotalSurfaceArea	364.95
Relative PSA	0.29344
PolarSurfaceArea	129.27
Druglikeness	0.1586
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	12
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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