[2-(9H-fluoren-3-yl)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C35H25NO3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(9H-fluoren-3-yl)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-(9H-fluoren-3-yl)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C35H25NO3
Smiles	O=C(COC(c1c(CC/C2=C/c3ccccc3)c2nc2ccccc12)=O)c1cc(-c2c(C3)cccc2)c3cc1
InChI	InChI=1S/C35H25NO3/c37-32(25-15-14-24-19-23-10-4-5-11-27(23)30(24)20-25)21-39-35(38)33-28-12-6-7-13-31(28)36-34-26(16-17-29(33)34)18-22-8-2-1-3-9-22/h1-15,18,20H,16-17,19,21H2
InChIK	DPMCVXCIQNQPTR-UHFFFAOYSA-N
TotalMolweight	507.588
Molweight	507.588
MonoisotopicMass	507.183444
CLogP	7.2324
CLogS	-8.998
H Acceptors	4
TotalSurfaceArea	384.15
Relative PSA	0.12248
PolarSurfaceArea	56.26
Druglikeness	1.0672
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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