[2-(1-adamantyl)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C32H29NO3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1-adamantyl)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-(1-adamantyl)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C32H29NO3ClF
Smiles	O=C(COC(c1c(CC/C2=C\c(c(F)ccc3)c3Cl)c2nc2ccccc12)=O)C1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C32H29ClFNO3/c33-25-5-3-6-26(34)24(25)13-21-8-9-23-29(22-4-1-2-7-27(22)35-30(21)23)31(37)38-17-28(36)32-14-18-10-19(15-32)12-20(11-18)16-32/h1-7,13,18-20H,8-12,14-17H2
InChIK	OPGMMPMLUROFHH-UHFFFAOYSA-N
TotalMolweight	530.037
Molweight	530.037
MonoisotopicMass	529.181999
CLogP	6.6658
CLogS	-8.098
H Acceptors	4
TotalSurfaceArea	376.11
Relative PSA	0.1251
PolarSurfaceArea	56.26
Druglikeness	0.41333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	7
Small Rings	8
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	14
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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1 - [2-(1-adamantyl)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(1-adamantyl)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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