ALA4102926Name:
2-(2-isopropyl-5-methylphenoxy)-5-nitrobenzonitrileMol. Formula:
C17H16N2O3M.W.:
296.33Type:
Small moleculeAlogP:
4.69Polar Surface Area:
76.16HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
66.93HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA4097631Name:
5-nitro-2-(2,4,6-trifluorophenoxy)benzonitrileMol. Formula:
C13H5F3N2O3M.W.:
294.19Type:
Small moleculeAlogP:
3.68Polar Surface Area:
76.16HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
2.25Polar Surface Area:
92.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA4086499Name:
2-(2-(tert-butyl)-4-methoxyphenoxy)-5-nitrobenzonitrileMol. Formula:
C18H18N2O4M.W.:
326.35Type:
Small moleculeAlogP:
4.56Polar Surface Area:
85.39HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS- ALA4084003
Name:
2-(2-(imidazo[1,2-a]pyridin-2-yl)phenoxy)-5-nitrobenzonitrileMol. Formula:
C20H12N4O3M.W.:
356.34Type:
Small moleculeAlogP:
4.57Polar Surface Area:
93.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
3.54Polar Surface Area:
76.16HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4078652
Name:
5-nitro-2-((1-phenyl-1H-1,2,4-triazol-3-yl)oxy)benzonitrileMol. Formula:
C15H9N5O3M.W.:
307.27Type:
Small moleculeAlogP:
2.84Polar Surface Area:
106.87HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS - 5-Nitro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)-amino]benzonitrile
Name:
5-nitro-2-((2,2,6,6-tetramethylpiperidin-4-yl)amino)benzonitrileMol. Formula:
C16H22N4O2M.W.:
302.38Type:
Small moleculeAlogP:
3.19Polar Surface Area:
90.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
76.16HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4065053
Name:
5-nitro-2-(2,4,6-tribromo-3-methylphenoxy)benzonitrileMol. Formula:
C14H7Br3N2O3M.W.:
490.93Type:
Small moleculeAlogP:
5.85Polar Surface Area:
76.16HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA3734904
Name:
N-(4-(6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazol-1-yl)phenyl)acetamideMol. Formula:
C15H11F3N4OM.W.:
320.27Type:
Small moleculeAlogP:
3.40Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
OligonucleotideAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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