ALA5282230Name:
(3E,5E)-3,5-bis(2,3,5-trimethoxybenzylidene)piperidin-4-oneMol. Formula:
C25H29NO7M.W.:
455.51Type:
---AlogP:
3.38Polar Surface Area:
84.48HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA5274398Name:
4-phenyl-2,6-bis(3,4,5-trimethoxybenzylidene)cyclohexan-1-oneMol. Formula:
C32H34O7M.W.:
530.62Type:
---AlogP:
6.35Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS
ALA5286773Name:
2,6-bis(4-nitrobenzylidene)-4-phenylcyclohexan-1-oneMol. Formula:
C26H20N2O5M.W.:
440.46Type:
---AlogP:
6.12Polar Surface Area:
103.35HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
---AlogP:
-0.86Polar Surface Area:
125.68HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
---AlogP:
2.21Polar Surface Area:
81.42HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA5218704
Name:
dinaphtho[2,3-b:2',3'-d]selenophene-5,7,12,13-tetraoneMol. Formula:
C20H8O4SeM.W.:
391.24Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
0.95Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
3.82Polar Surface Area:
42.01HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
3.60Polar Surface Area:
42.01HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
1.01Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
1.01Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
1.41Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5093523
Name:
6-chloro-2-(3-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amineMol. Formula:
C17H13ClFN3O2M.W.:
345.76Type:
UnknownAlogP:
4.32Polar Surface Area:
70.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
2.91Polar Surface Area:
108.95HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
4.04Polar Surface Area:
155.53HBA:
13HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
4.70Polar Surface Area:
112.39HBA:
11HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
UnknownAlogP:
5.43Polar Surface Area:
112.39HBA:
11HBD:
---#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
4.24Polar Surface Area:
142.60HBA:
13HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
UnknownAlogP:
6.10Polar Surface Area:
138.69HBA:
14HBD:
---#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
UnknownAlogP:
5.82Polar Surface Area:
112.39HBA:
11HBD:
---#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS
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