ALA5278344Name:
4-chloro-2-(5-(thieno[2,3-b]quinolin-2-yl)-1H-pyrazol-3-yl)phenolMol. Formula:
C20H12ClN3OSM.W.:
377.86Type:
---AlogP:
5.87Polar Surface Area:
61.80HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA5267291Name:
2-(5-(thieno[2,3-b]quinolin-2-yl)-1H-pyrazol-3-yl)phenolMol. Formula:
C20H13N3OSM.W.:
343.41Type:
---AlogP:
5.21Polar Surface Area:
61.80HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
---AlogP:
1.70Polar Surface Area:
337.56HBA:
11HBD:
12#RO5 Violations:
3#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - 2,2'-Thiobis(4-tert-octylphenol)
Name:
2,2'-thiobis(4-tert-octylphenol)Mol. Formula:
C28H42O2SM.W.:
442.71Type:
---AlogP:
8.68Polar Surface Area:
40.46HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
12.56Polar Surface Area:
24.94HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
4.49Polar Surface Area:
286.64HBA:
9HBD:
10#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
13.83Polar Surface Area:
24.94HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5200649
Name:
Bis(2-(4-bromobutoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl)sulfaneMol. Formula:
C36H56Br2O2SM.W.:
712.72Type:
---AlogP:
12.37Polar Surface Area:
18.46HBA:
3HBD:
---#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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