Type:
---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
ALA3740496Name:
4,6-dimethoxy-2-(piperidin-1-yl)pyrimidin-5-olMol. Formula:
C11H17N3O3M.W.:
239.27Type:
Small moleculeAlogP:
1.19Polar Surface Area:
67.71HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
1.48Polar Surface Area:
47.48HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA3740641Name:
2-(piperidin-1-yl)pyrimidin-5-olCas Number:
809236-47-3Mol. Formula:
C9H13N3OM.W.:
179.22Type:
Small moleculeAlogP:
1.17Polar Surface Area:
49.25HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS- ALA3741971
Name:
2-(piperidin-1-yl)pyrimidineCas Number:
51957-36-9Mol. Formula:
C9H13N3M.W.:
163.22Type:
Small moleculeAlogP:
1.47Polar Surface Area:
29.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA3739777
Name:
4,6-dimethoxy-2-(pyrrolidin-1-yl)pyrimidin-5-olMol. Formula:
C10H15N3O3M.W.:
225.25Type:
Small moleculeAlogP:
0.80Polar Surface Area:
67.71HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3740139
Name:
2-(pyrrolidin-1-yl)pyrimidin-5-olCas Number:
1256818-73-1Mol. Formula:
C8H11N3OM.W.:
165.20Type:
Small moleculeAlogP:
0.78Polar Surface Area:
49.25HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
UnknownAlogP:
9.51Polar Surface Area:
146.54HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.13DETAILS - 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 -
Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
---AlogP:
5.70Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
9.62Polar Surface Area:
199.40HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.09DETAILS -
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 -
Type:
UnknownAlogP:
9.84Polar Surface Area:
189.68HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4799660
Name:
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 - 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 - 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
The page will load shortly, Thanks for your patience!
Select all
