2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

Formula:C26H23N4O2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C26H23N4O2Br
Smiles	O=C(/C(/NC(c(cccc1)c1Br)=O)=C\c1cccc2ccccc12)NCCCn1cncc1
InChI	InChI=1S/C26H23BrN4O2/c27-23-12-4-3-11-22(23)25(32)30-24(26(33)29-13-6-15-31-16-14-28-18-31)17-20-9-5-8-19-7-1-2-10-21(19)20/h1-5,7-12,14,16-18H,6,13,15H2,(H,29,33)(H,30,32)
InChIK	MOZJCYOXVGGENF-UHFFFAOYSA-N
TotalMolweight	503.399
Molweight	503.399
MonoisotopicMass	502.100437
CLogP	4.7268
CLogS	-5.491
H Acceptors	6
H Donors	2
TotalSurfaceArea	358.38
Relative PSA	0.18651
PolarSurfaceArea	76.02
Druglikeness	4.3701
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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