[2-(benzylcarbamoylamino)-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C28H23N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(benzylcarbamoylamino)-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-(benzylcarbamoylamino)-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C28H23N3O4S
Smiles	O=C(COC(c1c(CC/C2=C\c3cccs3)c2nc2ccccc12)=O)NC(NCc1ccccc1)=O
InChI	InChI=1S/C28H23N3O4S/c32-24(31-28(34)29-16-18-7-2-1-3-8-18)17-35-27(33)25-21-10-4-5-11-23(21)30-26-19(12-13-22(25)26)15-20-9-6-14-36-20/h1-11,14-15H,12-13,16-17H2,(H2,29,31,32,34)
InChIK	LAZNRVCWXMIEOA-UHFFFAOYSA-N
TotalMolweight	497.574
Molweight	497.574
MonoisotopicMass	497.140927
CLogP	4.4083
CLogS	-6.232
H Acceptors	7
H Donors	2
TotalSurfaceArea	374.5
Relative PSA	0.27602
PolarSurfaceArea	125.63
Druglikeness	4.5648
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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