1-(1-adamantyl)-3-[(Z)-anthracen-9-ylmethylideneamino]urea

Formula:C26H27N3O Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(1-adamantyl)-3-[(Z)-anthracen-9-ylmethylideneamino]urea is not a drug-like molecule.

MolName	1-(1-adamantyl)-3-[(Z)-anthracen-9-ylmethylideneamino]urea
MolecularFormula	C26H27N3O
Smiles	O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C26H27N3O/c30-25(28-26-13-17-9-18(14-26)11-19(10-17)15-26)29-27-16-24-22-7-3-1-5-20(22)12-21-6-2-4-8-23(21)24/h1-8,12,16-19H,9-11,13-15H2,(H2,28,29,30)
InChIK	XJGJISBJNATLDH-UHFFFAOYSA-N
TotalMolweight	397.52
Molweight	397.52
MonoisotopicMass	397.215412
CLogP	5.9508
CLogS	-8.277
H Acceptors	4
H Donors	2
TotalSurfaceArea	297.86
Relative PSA	0.15937
PolarSurfaceArea	53.49
Druglikeness	4.6327
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	6
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	10
Symmetricatoms	12
Amides	1
StereoCon

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