N-[(E)-1-anthracen-9-yl-3-(benzhydrylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C37H28N2O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-anthracen-9-yl-3-(benzhydrylamino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-anthracen-9-yl-3-(benzhydrylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C37H28N2O2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1c(cccc2)c2cc2ccccc12)NC(c1ccccc1)c1ccccc1
InChI	InChI=1S/C37H28N2O2/c40-36(28-18-8-3-9-19-28)38-34(25-33-31-22-12-10-20-29(31)24-30-21-11-13-23-32(30)33)37(41)39-35(26-14-4-1-5-15-26)27-16-6-2-7-17-27/h1-25,35H,(H,38,40)(H,39,41)
InChIK	GATCGKWJMIEGOX-UHFFFAOYSA-N
TotalMolweight	532.641
Molweight	532.641
MonoisotopicMass	532.215078
CLogP	8.2378
CLogS	-9.161
H Acceptors	4
H Donors	2
TotalSurfaceArea	417.37
Relative PSA	0.1174
PolarSurfaceArea	58.2
Druglikeness	3.1825
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.34146
Fragments	1
Non HAtoms	41
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	1
Symmetricatoms	16
Amides	2
StereoCon

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