ALA3740895Name:
1-benzyl-4-(benzyloxy)-N-(4-phenoxyphenyl)-1H-1,2,3-triazole-5-carboxamideMol. Formula:
C29H24N4O3M.W.:
476.54Type:
Small moleculeAlogP:
5.95Polar Surface Area:
78.27HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA3740813Name:
2-benzyl-5-(benzyloxy)-N-(4-phenoxyphenyl)-2H-1,2,3-triazole-4-carboxamideMol. Formula:
C29H24N4O3M.W.:
476.54Type:
Small moleculeAlogP:
5.95Polar Surface Area:
78.27HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
6.48Polar Surface Area:
78.27HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
89.27HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA3739659Name:
4-hydroxy-1-methyl-N-(4-phenoxyphenyl)-1H-1,2,3-triazole-5-carboxamideMol. Formula:
C16H14N4O3M.W.:
310.31Type:
Small moleculeAlogP:
2.57Polar Surface Area:
89.27HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS- ALA3577756
Name:
9-(4-chlorobenzyl)-7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleMol. Formula:
C20H17ClN2OM.W.:
336.82Type:
Small moleculeAlogP:
5.21Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3577755
Name:
9-(Cyclopropylmethyl)-7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.92Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3577754
Name:
2-(4-Chlorobenzyl)-7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromideMol. Formula:
C20H18BrClN2OM.W.:
417.73Type:
Small moleculeAlogP:
4.63Polar Surface Area:
28.90HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3577752
Name:
7-((4-Chlorobenzyl)oxy)-1-methyl-9H-pyrido[3,4-b]indoleMol. Formula:
C19H15ClN2OM.W.:
322.80Type:
Small moleculeAlogP:
5.26Polar Surface Area:
37.91HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA3577751
Name:
7-(Cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indoleMol. Formula:
C16H16N2OM.W.:
252.32Type:
Small moleculeAlogP:
3.81Polar Surface Area:
37.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA3577750
Name:
9-(4-Chlorobenzyl)-1-methyl-9H-pyrido[3,4-b]indoleMol. Formula:
C19H15ClN2M.W.:
306.80Type:
Small moleculeAlogP:
5.20Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.55Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3577748
Name:
9-(Cyclopropylmethyl)-1-methyl-9H-pyrido[3,4-b]indoleMol. Formula:
C16H16N2M.W.:
236.32Type:
Small moleculeAlogP:
3.91Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3577746
Name:
1-Methyl-2-(4-(trifluoromethyl)benzyl)-9H-pyrido[3,4-b]indol-2-ium bromideMol. Formula:
C20H16BrF3N2M.W.:
421.26Type:
Small moleculeAlogP:
4.98Polar Surface Area:
19.67HBA:
---HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3577745
Name:
2-(4-Chlorobenzyl)-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromideMol. Formula:
C19H16BrClN2M.W.:
387.71Type:
Small moleculeAlogP:
4.62Polar Surface Area:
19.67HBA:
---HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3577744
Name:
2-(Cyclopropylmethyl)-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromideMol. Formula:
C16H17BrN2M.W.:
317.23Type:
Small moleculeAlogP:
3.33Polar Surface Area:
19.67HBA:
---HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3577743
Name:
1,2-Dimethyl-9H-pyrido[3,4-b]indol-2-ium bromideMol. Formula:
C13H13BrN2M.W.:
277.17Type:
Small moleculeAlogP:
2.45Polar Surface Area:
19.67HBA:
---HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.53DETAILS - ALA3577742
Name:
N-(4-Chlorophenyl)-9H-pyrido[3,4-b]indole-6-sulfonamideMol. Formula:
C17H12ClN3O2SM.W.:
357.82Type:
Small moleculeAlogP:
4.17Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA3577741
Name:
N-(p-Tolyl)-9H-pyrido[3,4-b]indole-6-sulfonamideMol. Formula:
C18H15N3O2SM.W.:
337.40Type:
Small moleculeAlogP:
3.83Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
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