Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4872756Name:
N-(2-nonyl-4-oxothiazolidin-3-yl)isonicotinamideMol. Formula:
C18H27N3O2SM.W.:
349.50Type:
UnknownAlogP:
3.77Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4871485Name:
12-De-O-methylphaeantharine trifluoroacetateMol. Formula:
C42H38F6N2O10M.W.:
844.76Type:
UnknownAlogP:
6.36Polar Surface Area:
74.14HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
UnknownAlogP:
4.89Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS-
Type:
---AlogP:
5.20Polar Surface Area:
30.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
---AlogP:
7.31Polar Surface Area:
51.44HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
-3.49Polar Surface Area:
224.66HBA:
13HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
---AlogP:
0.86Polar Surface Area:
73.91HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
0.61Polar Surface Area:
73.91HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
2.12Polar Surface Area:
76.66HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
2.67Polar Surface Area:
53.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
---AlogP:
-4.57Polar Surface Area:
253.76HBA:
13HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
2.85Polar Surface Area:
74.85HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
---AlogP:
1.73Polar Surface Area:
52.90HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
---AlogP:
5.77Polar Surface Area:
140.34HBA:
9HBD:
5#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
---AlogP:
3.03Polar Surface Area:
53.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.95DETAILS -
Type:
UnknownAlogP:
6.66Polar Surface Area:
63.14HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA4863175
Name:
N-(2-heptyl-4-oxothiazolidin-3-yl)isonicotinamideMol. Formula:
C16H23N3O2SM.W.:
321.45Type:
UnknownAlogP:
2.99Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
1.89Polar Surface Area:
53.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
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