ALA4218889Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(2,4-dihydroxyphenyl)acrylonitrileMol. Formula:
C16H10N2O2SM.W.:
294.33Type:
Small moleculeAlogP:
3.77Polar Surface Area:
77.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4217608Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(4-benzyloxyphenyl)acrylonitrileMol. Formula:
C23H16N2OSM.W.:
368.46Type:
Small moleculeAlogP:
5.94Polar Surface Area:
45.91HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA4214659Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(4-fluorophenyl)acrylonitrileMol. Formula:
C16H9FN2SM.W.:
280.33Type:
Small moleculeAlogP:
4.50Polar Surface Area:
36.68HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA4213883Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(1H-pyrrol-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
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
111.28HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS- ALA4213200
Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylonitrileMol. Formula:
C18H14N2O2SM.W.:
322.39Type:
Small moleculeAlogP:
4.38Polar Surface Area:
55.14HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4211774
Name:
(E)-3-(5-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)thiophen-2-yl)benzoic acidMol. Formula:
C21H12N2O2S2M.W.:
388.47Type:
Small moleculeAlogP:
5.79Polar Surface Area:
73.98HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4210409
Name:
(E)-5-(5-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)furan-2-yl)isophthalic acidMol. Formula:
C22H12N2O5SM.W.:
416.41Type:
Small moleculeAlogP:
5.02Polar Surface Area:
124.42HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4209746
Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylonitrileMol. Formula:
C17H12N2O2SM.W.:
308.36Type:
Small moleculeAlogP:
4.07Polar Surface Area:
66.14HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4209346
Name:
(E)-3-(Benzo[d][1,3]dioxol-5-yl)-2-(benzo[d]thiazol-2-yl)acrylonitrileMol. Formula:
C17H10N2O2SM.W.:
306.35Type:
Small moleculeAlogP:
4.09Polar Surface Area:
55.14HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4208966
Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(thiophen-2-yl)acrylonitrileMol. Formula:
C14H8N2S2M.W.:
268.37Type:
Small moleculeAlogP:
4.42Polar Surface Area:
36.68HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4206889
Name:
(E)-4-(5-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)thiophen-2-yl)benzoic acidMol. Formula:
C21H12N2O2S2M.W.:
388.47Type:
Small moleculeAlogP:
5.79Polar Surface Area:
73.98HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4205903
Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrileMol. Formula:
C19H16N2O3SM.W.:
352.42Type:
Small moleculeAlogP:
4.39Polar Surface Area:
64.37HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4205529
Name:
(E)-4-(5-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)furan-2-yl)benzoic acidMol. Formula:
C21H12N2O3SM.W.:
372.41Type:
Small moleculeAlogP:
5.32Polar Surface Area:
87.12HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4205116
Name:
(E)-3-(5-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)furan-2-yl)benzoic acidMol. Formula:
C21H12N2O3SM.W.:
372.41Type:
Small moleculeAlogP:
5.32Polar Surface Area:
87.12HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4204623
Name:
(E)-2-(-2-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)phenoxy)acetic acidMol. Formula:
C18H12N2O3SM.W.:
336.37Type:
Small moleculeAlogP:
3.82Polar Surface Area:
83.21HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4204475
Name:
(E)-2-(-4-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)phenoxy)acetic acidMol. Formula:
C18H12N2O3SM.W.:
336.37Type:
Small moleculeAlogP:
3.82Polar Surface Area:
83.21HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4203644
Name:
(E)-2-(Benzo[d]thiazol-2-yl)-3-(4-hydroxyphenyl)acrylonitrileMol. Formula:
C16H10N2OSM.W.:
278.34Type:
Small moleculeAlogP:
4.07Polar Surface Area:
56.91HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2259931
Name:
2-(methyl((1-methylpiperidin-2-yl)methyl)amino)-1-phenylethanolMol. Formula:
C16H26N2OM.W.:
262.40Type:
Small moleculeAlogP:
2.14Polar Surface Area:
26.71HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
113.20HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS
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