Type:
---AlogP:
5.70Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA5285590Name:
3-Fluoro-5-(((4'-fluoro-[1,1'-biphenyl]-4-yl)methyl)amino)benzoic AcidMol. Formula:
C20H15F2NO2M.W.:
339.34Type:
---AlogP:
4.94Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
---AlogP:
5.82Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4799660Name:
5,10,15-Tris(2'-nitro-4'-trifluoromethyl)corroleMol. Formula:
C40H20F9N7O6M.W.:
865.63Type:
UnknownAlogP:
12.48Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
UnknownAlogP:
3.03Polar Surface Area:
55.48HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.83DETAILS- ALA4795376
Name:
5,10,15-Tris(5'-chloro-2'-nitrophenyl)corroleMol. Formula:
C37H20Cl3N7O6M.W.:
764.97Type:
UnknownAlogP:
11.38Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4795107
Name:
5,10,15-Tris(4'-fluoro-3'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4793883
Name:
5,15-Bis(5'-fluoro-2'-nitrophenyl)-10-(3'-fluoro-5'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4788331
Name:
5,10,15-Tris(2'-fluoro-4'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4787647
Name:
5,15-Bis(3'-nitrophenyl)-10-(4'-fluoro-3'-nitrophenyl)corroleMol. Formula:
C37H22FN7O6M.W.:
679.62Type:
UnknownAlogP:
9.56Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.12DETAILS - ALA4783478
Name:
5,10,15-Tris(3'-fluoro-5'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4780375
Name:
5,10,15-Tris(3'-fluoro-4'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4777199
Name:
5,10,15-Tris(2'-fluoro-3'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4776183
Name:
5,15-Bis(3'-fluoro-5'-nitrophenyl)-10-(5'-fluoro-2'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4763777
Name:
5,10,15-Tris(5'-fluoro-2'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4760600
Name:
5,10,15-Tris(4'-fluoro-2'-nitrophenyl)corroleMol. Formula:
C37H20F3N7O6M.W.:
715.60Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4759313
Name:
5,10,15-Tris(4'-bromo-2'-fluoro-5'-nitrophenyl)corroleMol. Formula:
C37H17Br3F3N7O6M.W.:
952.29Type:
UnknownAlogP:
12.13Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
9.51Polar Surface Area:
146.54HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA4751824
Name:
5,10,15-Tris(4'-dimethylamino-2'-nitrophenyl)corroleMol. Formula:
C43H38N10O6M.W.:
790.84Type:
UnknownAlogP:
9.62Polar Surface Area:
199.40HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA4743320
Name:
5,10,15-Tris(2',6'-difluoro-3'-nitrophenyl)corroleMol. Formula:
C37H17F6N7O6M.W.:
769.57Type:
UnknownAlogP:
10.26Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.09DETAILS
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