1-(1-adamantyl)-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea

Formula:C25H29N3OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(1-adamantyl)-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea is not a drug-like molecule.

MolName	1-(1-adamantyl)-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
MolecularFormula	C25H29N3OS
Smiles	S=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c1cc(OCc2ccccc2)ccc1
InChI	InChI=1S/C25H29N3OS/c30-24(27-25-13-20-9-21(14-25)11-22(10-20)15-25)28-26-16-19-7-4-8-23(12-19)29-17-18-5-2-1-3-6-18/h1-8,12,16,20-22H,9-11,13-15,17H2,(H2,27,28,30)
InChIK	HYKDFLSUZPTTJJ-UHFFFAOYSA-N
TotalMolweight	419.591
Molweight	419.591
MonoisotopicMass	419.203132
CLogP	5.3068
CLogS	-6.49
H Acceptors	4
H Donors	2
TotalSurfaceArea	327.14
Relative PSA	0.2214
PolarSurfaceArea	77.74
Druglikeness	2.6073
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	8
StereoCon

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