ALA331840Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(5-chloro-thiophen-2-yl)-acrylonitrileMol. Formula:
C14H8ClN3SM.W.:
285.76Type:
Small moleculeAlogP:
4.34Polar Surface Area:
52.47HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA119775Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-furan-2-yl-acrylonitrileMol. Formula:
C14H9N3OM.W.:
235.25Type:
Small moleculeAlogP:
3.22Polar Surface Area:
65.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA118009Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(5-methyl-thiophen-2-yl)-acrylonitrileMol. Formula:
C15H11N3SM.W.:
265.34Type:
Small moleculeAlogP:
4.00Polar Surface Area:
52.47HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA116569Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-thiophen-2-yl-acrylonitrileMol. Formula:
C14H9N3SM.W.:
251.31Type:
Small moleculeAlogP:
3.69Polar Surface Area:
52.47HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA117701Name:
2-(5-Methyl-1H-[1,2,4]triazol-3-yl)-3-(3-nitro-phenyl)-acrylonitrileMol. Formula:
C12H9N5O2M.W.:
255.24Type:
Small moleculeAlogP:
2.09Polar Surface Area:
108.50HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS- ALA116627
Name:
2-(5-Ethyl-1H-[1,2,4]triazol-3-yl)-3-(3-nitro-phenyl)-acrylonitrileMol. Formula:
C17H11N5O2M.W.:
317.31Type:
Small moleculeAlogP:
3.44Polar Surface Area:
108.50HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA323906
Name:
2-(5-Ethyl-1H-[1,2,4]triazol-3-yl)-3-(5-nitro-thiophen-2-yl)-acrylonitrileMol. Formula:
C15H9N5O2SM.W.:
323.34Type:
Small moleculeAlogP:
3.51Polar Surface Area:
108.50HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA113815
Name:
2-(5-Ethyl-1H-[1,2,4]triazol-3-yl)-3-(5-nitro-furan-2-yl)-acrylonitrileMol. Formula:
C15H9N5O3M.W.:
307.27Type:
Small moleculeAlogP:
3.04Polar Surface Area:
121.64HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA331583
Name:
2-(5-Benzyl-1H-[1,2,4]triazol-3-yl)-3-(5-nitro-thiophen-2-yl)-acrylonitrileMol. Formula:
C16H11N5O2SM.W.:
337.36Type:
Small moleculeAlogP:
3.43Polar Surface Area:
108.50HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA117195
Name:
3-(4-Amino-phenyl)-2-(5-benzyl-1H-[1,2,4]triazol-3-yl)-acrylonitrileMol. Formula:
C20H19N5M.W.:
329.41Type:
Small moleculeAlogP:
3.53Polar Surface Area:
68.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA117966
Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(5-nitro-furan-2-yl)-acrylonitrileMol. Formula:
C14H8N4O3M.W.:
280.24Type:
Small moleculeAlogP:
3.13Polar Surface Area:
108.75HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA440896
Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(5-nitro-thiophen-2-yl)-acrylonitrileMol. Formula:
C14H8N4O2SM.W.:
296.31Type:
Small moleculeAlogP:
3.60Polar Surface Area:
95.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA334049
Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(5-nitro-thiophen-3-yl)-acrylonitrileMol. Formula:
C14H8N4O2SM.W.:
296.31Type:
Small moleculeAlogP:
3.60Polar Surface Area:
95.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA118079
Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(4-trifluoromethyl-phenyl)-acrylonitrileMol. Formula:
C17H10F3N3M.W.:
313.28Type:
Small moleculeAlogP:
4.65Polar Surface Area:
52.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA430890
Name:
2-(5-Methyl-1H-[1,2,4]triazol-3-yl)-3-(5-nitro-thiophen-2-yl)-acrylonitrileMol. Formula:
C10H7N5O2SM.W.:
261.27Type:
Small moleculeAlogP:
2.15Polar Surface Area:
108.50HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA114935
Name:
(E)-2-(1H-Benzoimidazol-2-yl)-3-(3-nitro-phenyl)-acrylonitrileMol. Formula:
C16H10N4O2M.W.:
290.28Type:
Small moleculeAlogP:
3.54Polar Surface Area:
95.61HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA326328
Name:
4-[(E)-2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-benzonitrileMol. Formula:
C17H10N4M.W.:
270.30Type:
Small moleculeAlogP:
3.50Polar Surface Area:
76.26HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA113922
Name:
2-[(E)-2-(5-Nitro-thiophen-2-yl)-vinyl]-1H-benzoimidazoleMol. Formula:
C13H9N3O2SM.W.:
271.30Type:
Small moleculeAlogP:
3.70Polar Surface Area:
71.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA117536
Name:
2-[(E)-1-Methyl-2-(5-nitro-thiophen-2-yl)-vinyl]-1H-benzoimidazoleMol. Formula:
C14H11N3O2SM.W.:
285.33Type:
Small moleculeAlogP:
4.09Polar Surface Area:
71.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA116696
Name:
2-(5-Benzyl-1H-[1,2,4]triazol-3-yl)-3-(5-nitro-furan-2-yl)-acrylonitrileMol. Formula:
C16H11N5O3M.W.:
321.30Type:
Small moleculeAlogP:
2.96Polar Surface Area:
121.64HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
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