1-(2-methylphenyl)-3-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]thiourea

Formula:C24H31N3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(2-methylphenyl)-3-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]thiourea is a drug-like molecule.

MolName	1-(2-methylphenyl)-3-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
MolecularFormula	C24H31N3S
Smiles	Cc1ccc(CN([C@H](CCC2)C3)[C@@H]2CC3NC(Nc2c(C)cccc2)=S)cc1
InChI	InChI=1S/C24H31N3S/c1-17-10-12-19(13-11-17)16-27-21-7-5-8-22(27)15-20(14-21)25-24(28)26-23-9-4-3-6-18(23)2/h3-4,6,9-13,20-22H,5,7-8,14-16H2,1-2H3,(H2,25,26,28)/t20?,21-,22+
InChIK	ONCINZPWHTYSKU-FRIKZZABSA-N
TotalMolweight	393.597
Molweight	393.597
MonoisotopicMass	393.223867
CLogP	4.7942
CLogS	-5.531
H Acceptors	3
H Donors	2
TotalSurfaceArea	316.53
Relative PSA	0.17208
PolarSurfaceArea	59.39
Druglikeness	-0.79683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 1-(2-methylphenyl)-3-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]thiourea | 2 - 1-(2-methylphenyl)-3-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]thiourea

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