Type:
---AlogP:
4.05Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
---AlogP:
4.74Polar Surface Area:
66.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
---AlogP:
3.66Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
---AlogP:
4.74Polar Surface Area:
66.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
---AlogP:
3.76Polar Surface Area:
80.38HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS- ALA5284193
Name:
1-((5,6-dichloropyridin-2-yl)amino)-3,4-dimethyl-1H-pyrrole-2,5-dioneMol. Formula:
C11H9Cl2N3O2M.W.:
286.12Type:
---AlogP:
2.42Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
4.11Polar Surface Area:
59.75HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA5287574
Name:
1-((4-isothiocyanatobut-1-en-1-yl)sulfinyl)-3,5-bis(trifluoromethyl)benzeneMol. Formula:
C13H9F6NOS2M.W.:
373.34Type:
---AlogP:
4.84Polar Surface Area:
35.42HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
---AlogP:
3.57Polar Surface Area:
59.75HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
---AlogP:
0.69Polar Surface Area:
203.61HBA:
15HBD:
6#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
---AlogP:
-0.09Polar Surface Area:
186.53HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
0.20Polar Surface Area:
195.76HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
0.47Polar Surface Area:
194.38HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
-0.42Polar Surface Area:
186.53HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
1.33Polar Surface Area:
194.38HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
---AlogP:
-0.28Polar Surface Area:
186.53HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
---AlogP:
-0.69Polar Surface Area:
186.53HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
-0.39Polar Surface Area:
186.53HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
0.82Polar Surface Area:
194.38HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
5.77Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
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