1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ylethyl)thiourea

Formula:C27H34N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ylethyl)thiourea is a drug-like molecule.

MolName	1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
MolecularFormula	C27H34N4O2S
Smiles	CCc(cc1)cc(C=C2CN(CCN3CCOCC3)C(Nc3c(CC)cccc3)=S)c1NC2=O
InChI	InChI=1S/C27H34N4O2S/c1-3-20-9-10-25-22(17-20)18-23(26(32)28-25)19-31(12-11-30-13-15-33-16-14-30)27(34)29-24-8-6-5-7-21(24)4-2/h5-10,17-18H,3-4,11-16,19H2,1-2H3,(H,28,32)(H,29,34)
InChIK	VFRWYHXCRWPWFM-UHFFFAOYSA-N
TotalMolweight	478.659
Molweight	478.659
MonoisotopicMass	478.240246
CLogP	3.7597
CLogS	-4.207
H Acceptors	6
H Donors	2
TotalSurfaceArea	383.07
Relative PSA	0.21161
PolarSurfaceArea	88.93
Druglikeness	4.5264
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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