ALA4879311Name:
3-((3-(Benzyloxy)phenyl)amino)-4-(2-methoxyphenyl)-1H-pyrrole-2,5-dioneMol. Formula:
C24H20N2O4M.W.:
400.43Type:
UnknownAlogP:
3.75Polar Surface Area:
76.66HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4878748Name:
3-(2-Chlorophenyl)-4-((3-fluorophenyhamino)-1H-pyrrole-2,5-dioneMol. Formula:
C16H10ClFN2O2M.W.:
316.72Type:
UnknownAlogP:
2.96Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
UnknownAlogP:
2.81Polar Surface Area:
91.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA4878043Name:
3-(2-Methoxyphenyl)-4-((2-(methylthio)phenyhamino)-1H-pyrrole-2,5-dioneMol. Formula:
C18H16N2O3SM.W.:
340.40Type:
UnknownAlogP:
2.90Polar Surface Area:
67.43HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA4877889Name:
3-(2-Methoxyphenyl)-4-(naphthalen-1-ylamino)-1H-pyrrole-2,5-dioneMol. Formula:
C21H16N2O3M.W.:
344.37Type:
UnknownAlogP:
3.33Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS- ALA4877795
Name:
3-(2-Methoxyphenyl)-4-((3-(methylsulfonyl)phenyhamino)-1H-pyrrole-2,5-dioneMol. Formula:
C18H16N2O5SM.W.:
372.40Type:
UnknownAlogP:
1.58Polar Surface Area:
101.57HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.83Polar Surface Area:
91.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4877101
Name:
3-((4-Naphthalen-1-yl)-2,5-dihydro-1H-pyrrol-3-yl)-amino)benzonitrileMol. Formula:
C21H13N3O2M.W.:
339.35Type:
UnknownAlogP:
3.19Polar Surface Area:
81.99HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4876254
Name:
3-((4-Benzoylphenyl)amino)-4-(2-methoxyphenyl)-1H-pyrrole-2,5-dioneMol. Formula:
C24H18N2O4M.W.:
398.42Type:
UnknownAlogP:
3.41Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
UnknownAlogP:
2.89Polar Surface Area:
78.43HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
2.19Polar Surface Area:
85.89HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
5.43Polar Surface Area:
100.45HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4875281
Name:
3-((3-Fluorophenyhamino)-4-(2-(trifluoromethyl)phenyl)-1H-pyrrole-2,5-dioneMol. Formula:
C17H10F4N2O2M.W.:
350.27Type:
UnknownAlogP:
3.32Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
2.05Polar Surface Area:
91.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
3.77Polar Surface Area:
91.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
3.98Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4873631
Name:
3-(2-Methoxyphenyl)-4-((4-(phenylamino)phenyl)amino)-1H-pyrrole-2,5-dioneMol. Formula:
C23H19N3O3M.W.:
385.42Type:
UnknownAlogP:
3.92Polar Surface Area:
79.46HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
5.43Polar Surface Area:
100.45HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4872236
Name:
3-((3-Chloro-4-methoxybenzyl)amino)-4-(2-chlorophenyl)-1H-pyrrole-2,5-dioneMol. Formula:
C18H14Cl2N2O3M.W.:
377.23Type:
UnknownAlogP:
3.16Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4871372
Name:
3-(2-Methoxyphenyl)-4-(quinolin-8-ylamino)-1H-pyrrole-2,5-dioneMol. Formula:
C20H15N3O3M.W.:
345.36Type:
UnknownAlogP:
2.72Polar Surface Area:
80.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS
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