Type:
UnknownAlogP:
0.48Polar Surface Area:
162.39HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA4795404Name:
2-(1-benzyl-5-nitro-1H-indazol-3-yloxy)ethanamine hydrochlorideMol. Formula:
C16H17ClN4O3M.W.:
348.79Type:
UnknownAlogP:
2.33Polar Surface Area:
96.21HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
UnknownAlogP:
3.32Polar Surface Area:
73.43HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA4792175Name:
1-benzyl-3-(2-bromoethoxy)-5-nitro-1H-indazoleMol. Formula:
C16H14BrN3O3M.W.:
376.21Type:
UnknownAlogP:
3.77Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA4791256Name:
3-(1-benzyl-5-nitro-1H-indazol-3-yloxy)propan-1-amine hydrochlorideMol. Formula:
C17H19ClN4O3M.W.:
362.82Type:
UnknownAlogP:
2.72Polar Surface Area:
96.21HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA4789483
Name:
1-benzyl-5-nitro-3-(3-(piperidin-1-yl)propoxy)-1H-indazole hydrochlorideMol. Formula:
C22H27ClN4O3M.W.:
430.94Type:
UnknownAlogP:
4.25Polar Surface Area:
73.43HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
3.76Polar Surface Area:
82.22HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4758748
Name:
1-benzyl-5-nitro-3-(2-(piperidin-1-yl)ethoxy)-1H-indazole hydrochlorideMol. Formula:
C21H25ClN4O3M.W.:
416.91Type:
UnknownAlogP:
3.86Polar Surface Area:
73.43HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4756651
Name:
1-benzyl-5-nitro-3-(5-(piperidin-1-yl)pentyloxy)-1H-indazole hydrochlorideMol. Formula:
C24H31ClN4O3M.W.:
458.99Type:
UnknownAlogP:
5.03Polar Surface Area:
73.43HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4750549
Name:
5-(1-benzyl-5-nitro-1H-indazol-3-yloxy)pentan-1-amine hydrochlorideMol. Formula:
C19H23ClN4O3M.W.:
390.87Type:
UnknownAlogP:
3.50Polar Surface Area:
96.21HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4750030
Name:
2-(2-(1-benzyl-5-nitro-1H-indazol-3-yloxy)ethyl)isoindoline-1,3-dioneMol. Formula:
C24H18N4O5M.W.:
442.43Type:
UnknownAlogP:
3.67Polar Surface Area:
107.57HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4746947
Name:
2-(3-(1-benzyl-5-nitro-1H-indazol-3-yloxy)propyl)isoindoline-1,3-dioneMol. Formula:
C25H20N4O5M.W.:
456.46Type:
UnknownAlogP:
4.06Polar Surface Area:
107.57HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA4745215
Name:
2-(1-benzyl-5-nitro-1H-indazol-3-yloxy)-N-methylethanamine hydrochlorideMol. Formula:
C17H19ClN4O3M.W.:
362.82Type:
UnknownAlogP:
2.59Polar Surface Area:
82.22HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
4.10Polar Surface Area:
73.43HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4743080
Name:
1-benzyl-3-(5-bromopentyloxy)-5-nitro-1H-indazoleMol. Formula:
C19H20BrN3O3M.W.:
418.29Type:
UnknownAlogP:
4.94Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
3.18Polar Surface Area:
38.77HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
2.52Polar Surface Area:
111.37HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
2.52Polar Surface Area:
111.37HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4294588
Name:
5-Bromo-1-[8-(2,3-dioxo-2,3-dihydro-indol-1-yl)octyl]-1H-indole-2,3-dioneMol. Formula:
C24H22Br2N2O4M.W.:
562.26Type:
Small moleculeAlogP:
5.31Polar Surface Area:
74.76HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4294576
Name:
5-Bromo-1-[6-(2,3-dioxo-2,3-dihydro-indol-1-yl)hexyl]-1H-indole-2,3-dioneMol. Formula:
C22H18Br2N2O4M.W.:
534.20Type:
Small moleculeAlogP:
4.53Polar Surface Area:
74.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS
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