ALA5198503Name:
(3Z)-3-(3-oxobenzoselenophen-2-ylidene)-5-(trifluoromethoxy)indolin-2-oneMol. Formula:
C17H8F3NO3SeM.W.:
410.21Type:
---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:
UnknownAlogP:
5.74Polar Surface Area:
64.63HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
UnknownAlogP:
5.93Polar Surface Area:
134.55HBA:
8HBD:
4#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.26DETAILS-
Type:
UnknownAlogP:
4.04Polar Surface Area:
95.86HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
2.84Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
4.69Polar Surface Area:
84.86HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
-2.27Polar Surface Area:
133.49HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
5.15Polar Surface Area:
72.47HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
1.80Polar Surface Area:
113.29HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
5.28Polar Surface Area:
106.81HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4176108
Name:
Tricyclohexylstannyl 2-(4-methoxy-2-nitrophenylcarbamoyl)benzoateMol. Formula:
C33H44N2O6SnM.W.:
683.43Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4175044
Name:
Triethylstannyl 2-(4-methoxy-2-nitrophenylcarbamoyl)benzoateMol. Formula:
C21H26N2O6SnM.W.:
521.16Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4173242
Name:
(E)-4-((3,4,5-trimethoxyphenyl)diazenyl)benzene-1,2-diolMol. Formula:
C15H16N2O5M.W.:
304.30Type:
Small moleculeAlogP:
3.54Polar Surface Area:
92.87HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4171601
Name:
Diphenylstannanediyl bis 2-(4-methoxy-2-nitrophenylcarbamoyl)benzoateMol. Formula:
C42H32N4O12SnM.W.:
903.45Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4171448
Name:
Sodium 2-(4-methoxy-2-nitrophenylcarbamoyl)benzoateMol. Formula:
C15H11N2NaO6M.W.:
338.25Type:
Small moleculeAlogP:
2.55Polar Surface Area:
118.77HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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