1-(4-ethylphenyl)-3-[(1R,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea

Formula:C22H29N3OS Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(4-ethylphenyl)-3-[(1R,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea is a drug-like molecule.

MolName	1-(4-ethylphenyl)-3-[(1R,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
MolecularFormula	C22H29N3OS
Smiles	CCc(cc1)ccc1NC(NC1C[C@H](CCC2)N(Cc3ccco3)[C@H]2C1)=S
InChI	InChI=1S/C22H29N3OS/c1-2-16-8-10-17(11-9-16)23-22(27)24-18-13-19-5-3-6-20(14-18)25(19)15-21-7-4-12-26-21/h4,7-12,18-20H,2-3,5-6,13-15H2,1H3,(H2,23,24,27)/t18?,19-,20+
InChIK	VEGHIBJDHRUQOR-IHWFROFDSA-N
TotalMolweight	383.558
Molweight	383.558
MonoisotopicMass	383.203132
CLogP	4.0546
CLogS	-5.028
H Acceptors	4
H Donors	2
TotalSurfaceArea	307.72
Relative PSA	0.22286
PolarSurfaceArea	72.53
Druglikeness	-0.79493
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	3
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	unknown chirality

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