Type:
---AlogP:
5.61Polar Surface Area:
73.22HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
---AlogP:
2.25Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA4645771Name:
(E)-2-(2-((5-nitrothiophen-2-yl)methylene)hydrazinyl)quinoxalineMol. Formula:
C13H9N5O2SM.W.:
299.32Type:
UnknownAlogP:
3.05Polar Surface Area:
93.31HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA4645649Name:
(E)-2-(2-((1H-imidazol-5-yl)methylene)hydrazinyl)quinoxalineMol. Formula:
C12H10N6M.W.:
238.25Type:
UnknownAlogP:
1.80Polar Surface Area:
78.85HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4643306Name:
(E)-2-(2-(pyridin-3-ylmethylene)hydrazinyl)quinoxalineMol. Formula:
C14H11N5M.W.:
249.28Type:
UnknownAlogP:
2.47Polar Surface Area:
63.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA4641644
Name:
(E)-2-(2-(furan-2-ylmethylene)hydrazinyl)quinoxalineMol. Formula:
C13H10N4OM.W.:
238.25Type:
UnknownAlogP:
2.67Polar Surface Area:
63.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4638541
Name:
(E)-2-(2-((1H-pyrrol-2-yl)methylene)hydrazinyl)quinoxalineMol. Formula:
C13H11N5M.W.:
237.27Type:
UnknownAlogP:
2.40Polar Surface Area:
65.96HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4636697
Name:
(E)-2-(2-((5-nitrofuran-2-yl)methylene)hydrazinyl)quinoxalineMol. Formula:
C13H9N5O3M.W.:
283.25Type:
UnknownAlogP:
2.58Polar Surface Area:
106.45HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4635407
Name:
(E)-2-(2-(thiophen-2-ylmethylene)hydrazinyl)quinoxalineMol. Formula:
C13H10N4SM.W.:
254.32Type:
UnknownAlogP:
3.14Polar Surface Area:
50.17HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4634071
Name:
(E)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)quinoxalineMol. Formula:
C14H11N5M.W.:
249.28Type:
UnknownAlogP:
2.47Polar Surface Area:
63.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
3.82Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
2.75Polar Surface Area:
98.75HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4218661
Name:
5-Isopropyl-2-methyl-3-ethylamino-1,4-benzoquinoneMol. Formula:
C12H17NO2M.W.:
207.27Type:
Small moleculeAlogP:
1.60Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.71DETAILS - ALA4209437
Name:
5-Isopropyl-2-methyl-3-methylamino-1,4-benzoquinoneMol. Formula:
C11H15NO2M.W.:
193.25Type:
Small moleculeAlogP:
1.21Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
86.37HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
66.06HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
4.13Polar Surface Area:
95.60HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
89.54HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.16Polar Surface Area:
98.77HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
116.20HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS
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