ALA5209434Name:
4-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)-3-methoxybenzenesulfonamideMol. Formula:
C15H12FN3O4SM.W.:
349.34Type:
---AlogP:
2.20Polar Surface Area:
108.31HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5207009Name:
N-(4-nitro-1,3-dioxoisoindolin-2-yl)-4-sulfamoylbenzamideMol. Formula:
C15H10N4O7SM.W.:
390.33Type:
---AlogP:
0.18Polar Surface Area:
169.78HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA5205140Name:
1,3-dioxo-2-(4-sulfamoylbenzamido)isoindoline-5-carboxylic acidMol. Formula:
C16H11N3O7SM.W.:
389.35Type:
---AlogP:
-0.03Polar Surface Area:
163.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
---AlogP:
3.76Polar Surface Area:
144.66HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA5203246Name:
N-(5-nitro-1,3-dioxoisoindolin-2-yl)-4-sulfamoylbenzamideMol. Formula:
C15H10N4O7SM.W.:
390.33Type:
---AlogP:
0.18Polar Surface Area:
169.78HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS-
Type:
UnknownAlogP:
2.38Polar Surface Area:
138.54HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4457432
Name:
(E)-4-(5-benzylidene-4-oxo-4,5-dihydrothiazol-2-ylamino)phenyl sulfamateMol. Formula:
C16H13N3O4S2M.W.:
375.43Type:
UnknownAlogP:
2.35Polar Surface Area:
110.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4176906
Name:
4-(4-(4-Methoxybenzoyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamideMol. Formula:
C16H14N4O4SM.W.:
358.38Type:
Small moleculeAlogP:
1.15Polar Surface Area:
117.17HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4173541
Name:
4-(4-(4-Chlorobenzoyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamideMol. Formula:
C15H11ClN4O3SM.W.:
362.80Type:
Small moleculeAlogP:
1.80Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4169712
Name:
4-(4-Benzoyl-1H-1,2,3-triazol-1-yl)benzenesulfonamideMol. Formula:
C15H12N4O3SM.W.:
328.35Type:
Small moleculeAlogP:
1.15Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4169044
Name:
4-(4-(4-Methylbenzoyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamideMol. Formula:
C16H14N4O3SM.W.:
342.38Type:
Small moleculeAlogP:
1.45Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4161577
Name:
4-(4-(4-Fluorobenzoyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamideMol. Formula:
C15H11FN4O3SM.W.:
346.34Type:
Small moleculeAlogP:
1.28Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - 4-(1H-Tetrazol-5-yl)benzaldehyde
Name:
4-(1H-tetrazol-5-yl)benzaldehydeMol. Formula:
C8H6N4OM.W.:
174.16Type:
Small moleculeAlogP:
0.68Polar Surface Area:
71.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA2042371
Name:
1,3-dibromo-5-(2,3-dibromo-4,5-dimethoxybenzyl)-2,4,6-trimethoxybenzeneMol. Formula:
C18H18Br4O5M.W.:
633.95Type:
Small moleculeAlogP:
6.37Polar Surface Area:
46.15HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA2042370
Name:
2,3-dibromo-1-(3-bromo-2,4,6-trimethoxybenzyl)-4,5-dimethoxybenzeneMol. Formula:
C18H19Br3O5M.W.:
555.06Type:
Small moleculeAlogP:
5.61Polar Surface Area:
46.15HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
8.74Polar Surface Area:
64.61HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
-7.12Polar Surface Area:
89.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
-0.83Polar Surface Area:
109.85HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS
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