Type:
Small moleculeAlogP:
2.26Polar Surface Area:
123.13HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA601512Name:
3-(Methyl-N-ethylcarbamate)-5-hydroxybenz[f]indazol-4,9-dioneMol. Formula:
C15H13N3O5M.W.:
315.29Type:
Small moleculeAlogP:
0.79Polar Surface Area:
121.38HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
119.61HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA603058Name:
3-(Methyl-N-ethylcarbamate)-6-(N0-methylphenylamino)indazol-4,7-dioneMol. Formula:
C18H18N4O4M.W.:
354.37Type:
Small moleculeAlogP:
1.71Polar Surface Area:
104.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA589095Name:
3-(methyl-N-ethylcarbamate)-6-(N0-ethylphenylamino)indazol-4,7-dioneMol. Formula:
C19H20N4O4M.W.:
368.39Type:
Small moleculeAlogP:
2.10Polar Surface Area:
104.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS- ALA589094
Name:
3-(Methyl-N-ethylcarbamate)-6-methoxylindazol-4,7-dioneMol. Formula:
C12H13N3O5M.W.:
279.25Type:
Small moleculeAlogP:
0.22Polar Surface Area:
110.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA590067
Name:
3-(Benzyl-N-ethylcarbamate)-6-methoxylindazol-4,7-dioneMol. Formula:
C18H17N3O5M.W.:
355.35Type:
Small moleculeAlogP:
1.79Polar Surface Area:
110.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA590066
Name:
methyl 2-(6-chloro-4,7-dioxo-4,7-dihydro-1H-indazol-3-yl)ethylcarbamateMol. Formula:
C11H10ClN3O4M.W.:
283.67Type:
Small moleculeAlogP:
0.81Polar Surface Area:
101.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA591201
Name:
3-(Methyl-N-ethylcarbamate)-6-methylindazol-4,7-dioneMol. Formula:
C12H13N3O4M.W.:
263.25Type:
Small moleculeAlogP:
0.63Polar Surface Area:
101.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA590065
Name:
3-(methyl-N-ethylcarbamate)-benz[f]indazol-4,9-dioneMol. Formula:
C15H13N3O4M.W.:
299.29Type:
Small moleculeAlogP:
1.08Polar Surface Area:
101.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA591018
Name:
3-(Methyl-N-ethylcarbamate)-6-(p-methoxyphenylamino)indazol-4,7-dioneMol. Formula:
C18H18N4O5M.W.:
370.37Type:
Small moleculeAlogP:
1.69Polar Surface Area:
122.41HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA592193
Name:
3-(Methyl-N-ethylcarbamate)-6-phenylaminoindazol-4,7-dioneMol. Formula:
C17H16N4O4M.W.:
340.34Type:
Small moleculeAlogP:
1.68Polar Surface Area:
113.18HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA592192
Name:
3-(Methyl-N-ethylcarbamate)-6-(o-methoxyphenylamino)indazol-4,7-dioneMol. Formula:
C18H18N4O5M.W.:
370.37Type:
Small moleculeAlogP:
1.69Polar Surface Area:
122.41HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA591959
Name:
3-(Methyl-N-ethylcarbamate)-6-(p-methylphenylamino)indazol-4,7-dioneMol. Formula:
C18H18N4O4M.W.:
354.37Type:
Small moleculeAlogP:
1.99Polar Surface Area:
113.18HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA590508
Name:
3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenolMol. Formula:
C15H19N5OM.W.:
285.35Type:
Small moleculeAlogP:
1.98Polar Surface Area:
87.30HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
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