3-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

Formula:C30H24N3O2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	3-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C30H24N3O2Br
Smiles	O=C(/C(/NC(c1cccc(Br)c1)=O)=C\c1cccc2ccccc12)NCCc1c[nH]c2c1cccc2
InChI	InChI=1S/C30H24BrN3O2/c31-24-11-6-10-22(17-24)29(35)34-28(18-21-9-5-8-20-7-1-2-12-25(20)21)30(36)32-16-15-23-19-33-27-14-4-3-13-26(23)27/h1-14,17-19,33H,15-16H2,(H,32,36)(H,34,35)
InChIK	XBIQZRYPRZEHHT-UHFFFAOYSA-N
TotalMolweight	538.444
Molweight	538.444
MonoisotopicMass	537.105188
CLogP	6.5223
CLogS	-7.766
H Acceptors	5
H Donors	3
TotalSurfaceArea	380.83
Relative PSA	0.1654
PolarSurfaceArea	73.99
Druglikeness	2.0958
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - 3-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide | 2 - 3-bromo-N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

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