Type:
---AlogP:
3.42Polar Surface Area:
76.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
---AlogP:
4.60Polar Surface Area:
76.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
---AlogP:
6.08Polar Surface Area:
87.22HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
4.32Polar Surface Area:
111.91HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
6.08Polar Surface Area:
69.14HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS- ALA5283716
Name:
(2R,2'R)-3,3'-diselanediylbis(2-aminopropanoic acid)Mol. Formula:
C6H12N2O4Se2M.W.:
334.09Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
5.10Polar Surface Area:
77.66HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA5291032
Name:
[1,2,5]selenadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dioneMol. Formula:
C4H2N4O2SeM.W.:
217.05Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
7.59Polar Surface Area:
66.99HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
---AlogP:
6.37Polar Surface Area:
75.19HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
5.70Polar Surface Area:
64.77HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
---AlogP:
1.48Polar Surface Area:
146.41HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA5208184
Name:
(9-carboxynonyl)tris(4-(dimethylamino)phenyl)phosphonium BromideMol. Formula:
C34H49BrN3O2PM.W.:
642.66Type:
---AlogP:
6.38Polar Surface Area:
47.02HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
1.65Polar Surface Area:
110.49HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
---AlogP:
5.19Polar Surface Area:
63.68HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
---AlogP:
8.03Polar Surface Area:
116.40HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
---AlogP:
2.18Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA5206568
Name:
(9-carboxynonyl)tri-p-tolylphosphonium BromideMol. Formula:
C31H40BrO2PM.W.:
555.54Type:
---AlogP:
7.11Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
---AlogP:
5.47Polar Surface Area:
63.68HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
---AlogP:
1.45Polar Surface Area:
104.50HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
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