N-[(Z)-1-anthracen-9-yl-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C30H22N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-1-anthracen-9-yl-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-anthracen-9-yl-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C30H22N2O3
Smiles	Oc1cccc(NC(/C(/NC(c2ccccc2)=O)=C/c2c(cccc3)c3cc3ccccc23)=O)c1
InChI	InChI=1S/C30H22N2O3/c33-24-14-8-13-23(18-24)31-30(35)28(32-29(34)20-9-2-1-3-10-20)19-27-25-15-6-4-11-21(25)17-22-12-5-7-16-26(22)27/h1-19,33H,(H,31,35)(H,32,34)
InChIK	QPWTZDJCSNHEGU-UHFFFAOYSA-N
TotalMolweight	458.516
Molweight	458.516
MonoisotopicMass	458.163043
CLogP	6.4669
CLogS	-7.789
H Acceptors	5
H Donors	3
TotalSurfaceArea	351.46
Relative PSA	0.17669
PolarSurfaceArea	78.43
Druglikeness	2.9925
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.37143
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	8
Amides	2
StereoCon

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