1-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea

Formula:C23H27N5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea is a drug-like molecule.

MolName	1-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea
MolecularFormula	C23H27N5S
Smiles	S=C(Nc1ccccc1)N/N=C(/C(C1)C2)\C3(Cc4ccccc4)CN2CCN1C3
InChI	InChI=1S/C23H27N5S/c29-22(24-20-9-5-2-6-10-20)26-25-21-19-14-27-11-12-28(15-19)17-23(21,16-27)13-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H2,24,26,29)
InChIK	VCTNOKWGKYQUJQ-UHFFFAOYSA-N
TotalMolweight	405.568
Molweight	405.568
MonoisotopicMass	405.198715
CLogP	3.6137
CLogS	-3.543
H Acceptors	5
H Donors	2
TotalSurfaceArea	310.95
Relative PSA	0.22361
PolarSurfaceArea	74.99
Druglikeness	4.732
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	8
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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1 - 1-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea | 2 - 1-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-phenylthiourea

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