N-[(Z)-1-anthracen-9-yl-3-[4-[[(Z)-3-anthracen-9-yl-2-benzamidoprop-2-enoyl]amino]butylamino]-3-oxoprop-1-en-2-yl]benzamide

Formula:C52H42N4O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-1-anthracen-9-yl-3-[4-[[(Z)-3-anthracen-9-yl-2-benzamidoprop-2-enoyl]amino]butylamino]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-anthracen-9-yl-3-[4-[[(Z)-3-anthracen-9-yl-2-benzamidoprop-2-enoyl]amino]butylamino]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C52H42N4O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1c(cccc2)c2cc2ccccc12)NCCCCNC(/C(/NC(c1ccccc1)=O)=C/c1c(cccc2)c2cc2ccccc12)=O
InChI	InChI=1S/C52H42N4O4/c57-49(35-17-3-1-4-18-35)55-47(33-45-41-25-11-7-21-37(41)31-38-22-8-12-26-42(38)45)51(59)53-29-15-16-30-54-52(60)48(56-50(58)36-19-5-2-6-20-36)34-46-43-27-13-9-23-39(43)32-40-24-10-14-28-44(40)46/h1-14,17-28,31-34H,15-16,29-30H2,(H,53,
InChIK	LBHZAMIYWXEJDK-UHFFFAOYSA-N
TotalMolweight	786.929
Molweight	786.929
MonoisotopicMass	786.320606
CLogP	10.952
CLogS	-13.312
H Acceptors	8
H Donors	4
TotalSurfaceArea	612.24
Relative PSA	0.16007
PolarSurfaceArea	116.4
Druglikeness	1.2198
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.36667
Fragments	1
Non HAtoms	60
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	13
Rings Closures	8
Small Rings	8
Aromatic Rings	8
Aromatic Atoms	40
Sp3Atoms	4
Symmetricatoms	38
Amides	4
StereoCon

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1 - N-[(Z)-1-anthracen-9-yl-3-[4-[[(Z)-3-anthracen-9-yl-2-benzamidoprop-2-enoyl]amino]butylamino]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-anthracen-9-yl-3-[4-[[(Z)-3-anthracen-9-yl-2-benzamidoprop-2-enoyl]amino]butylamino]-3-oxoprop-1-en-2-yl]benzamide

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