Type:
---AlogP:
6.79Polar Surface Area:
104.82HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA5267113Name:
2-isopentyl-5,6-dimethoxy-3-methyl-1,4-benzoquinoneMol. Formula:
C14H20O4M.W.:
252.31Type:
---AlogP:
2.40Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
---AlogP:
7.07Polar Surface Area:
96.89HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
---AlogP:
-0.52Polar Surface Area:
187.48HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
---AlogP:
-0.39Polar Surface Area:
163.37HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS- ALA5221102
Name:
(R)-6-Bromo-N-(pyrrolidin-2-ylmethyl)-1H-indazol-4-amineMol. Formula:
C12H15BrN4M.W.:
295.18Type:
---AlogP:
2.49Polar Surface Area:
52.74HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.82DETAILS -
Type:
---AlogP:
2.00Polar Surface Area:
168.27HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
---AlogP:
2.11Polar Surface Area:
168.27HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
---AlogP:
2.25Polar Surface Area:
168.27HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA5221020
Name:
(1R,2S)-2-(((5-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-olMol. Formula:
C14H18BrN3OM.W.:
324.22Type:
---AlogP:
3.29Polar Surface Area:
60.94HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5220937
Name:
2-((6-Bromo-1H-indazol-4-yl)amino)-1-(3-chlorophenyl)ethan-1-olMol. Formula:
C15H13BrClN3OM.W.:
366.65Type:
---AlogP:
4.12Polar Surface Area:
60.94HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
1.10Polar Surface Area:
171.17HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA5220840
Name:
(1R,2S)-2-(((6-Bromo-1-methyl-1H-indazol-4-yl)amino)methyl)cyclohexan-1-olMol. Formula:
C15H20BrN3OM.W.:
338.25Type:
---AlogP:
3.30Polar Surface Area:
50.08HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA5220800
Name:
(1S,2S)-2-(((6-Bromo-1H-indazol-4-yl)methyl)amino)cyclohexan-1-olMol. Formula:
C14H18BrN3OM.W.:
324.22Type:
---AlogP:
2.72Polar Surface Area:
60.94HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5220677
Name:
2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-olMol. Formula:
C14H18BrN3OM.W.:
324.22Type:
---AlogP:
3.29Polar Surface Area:
60.94HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
---AlogP:
2.35Polar Surface Area:
168.27HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA5220520
Name:
(R)-6-Bromo-N-(piperidin-2-ylmethyl)-1H-indazol-4-amineMol. Formula:
C13H17BrN4M.W.:
309.21Type:
---AlogP:
2.88Polar Surface Area:
52.74HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA5220477
Name:
(S)-6-Bromo-N-(pyrrolidin-2-ylmethyl)-1H-indazol-4-amineMol. Formula:
C12H15BrN4M.W.:
295.18Type:
---AlogP:
2.49Polar Surface Area:
52.74HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.82DETAILS - ALA5220441
Name:
6-Bromo-N-(pyrrolidin-3-ylmethyl)-1H-indazol-4-amineMol. Formula:
C12H15BrN4M.W.:
295.18Type:
---AlogP:
2.35Polar Surface Area:
52.74HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.81DETAILS - ALA5220436
Name:
(1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexyl AcetateMol. Formula:
C16H20BrN3O2M.W.:
366.26Type:
---AlogP:
3.86Polar Surface Area:
67.01HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
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