N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide

Formula:C30H27N3O Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is not a drug-like molecule.

MolName	N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
MolecularFormula	C30H27N3O
Smiles	O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C\c1ccc(CC2)c3c2cccc13
InChI	InChI=1S/C30H27N3O/c34-30(32-31-18-26-15-14-24-13-12-23-6-3-7-28(26)29(23)24)25-10-8-21(9-11-25)19-33-17-16-22-4-1-2-5-27(22)20-33/h1-11,14-15,18H,12-13,16-17,19-20H2,(H,32,34)
InChIK	OUPZTPZOBIQXGE-UHFFFAOYSA-N
TotalMolweight	445.564
Molweight	445.564
MonoisotopicMass	445.215412
CLogP	6.0056
CLogS	-7.065
H Acceptors	4
H Donors	1
TotalSurfaceArea	347.21
Relative PSA	0.11394
PolarSurfaceArea	44.7
Druglikeness	5.2799
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	7
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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