methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Formula:C25H24NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is a drug-like molecule.

MolName	methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MolecularFormula	C25H24NO5Cl
Smiles	CC(NC(C[C@@H](C1)c(cccc2)c2Cl)=C([C@@H]2c(cc3)cc(OC)c3O)C1=O)=C2C(OC)=O
InChI	InChI=1S/C25H24ClNO5/c1-13-22(25(30)32-3)23(14-8-9-19(28)21(12-14)31-2)24-18(27-13)10-15(11-20(24)29)16-6-4-5-7-17(16)26/h4-9,12,15,23,27-28H,10-11H2,1-3H3/t15-,23+/m0/s1
InChIK	ZZWKKSVZNFCQST-NPMXOYFQSA-N
TotalMolweight	453.921
Molweight	453.921
MonoisotopicMass	453.134301
CLogP	4.9412
CLogS	-5.138
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.89
Relative PSA	0.21413
PolarSurfaceArea	84.86
Druglikeness	0.36221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
StereoCon	this enantiomer

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1 - methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate | 2 - methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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