ALA5267051Name:
N-((6-(trifluoromethyl)-1H-indol-2-yl)methyl)cyclooctanamineMol. Formula:
C18H23F3N2M.W.:
324.39Type:
---AlogP:
5.39Polar Surface Area:
27.82HBA:
1HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5266622Name:
N-cycloheptyl-6-(trifluoromethyl)-1H-indole-2-carboxamideMol. Formula:
C17H19F3N2OM.W.:
324.35Type:
---AlogP:
4.64Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5266563Name:
(5-(7-methoxy-1H-indol-1-yl)pentyl)triphenylphosphonium chlorideMol. Formula:
C32H33ClNOPM.W.:
514.05Type:
---AlogP:
6.81Polar Surface Area:
14.16HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
---AlogP:
4.35Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
---AlogP:
4.71Polar Surface Area:
12.03HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS- ALA5282173
Name:
N-((5-chloro-1H-indol-2-yl)methyl)cyclooctanamineMol. Formula:
C17H23ClN2M.W.:
290.84Type:
---AlogP:
5.02Polar Surface Area:
27.82HBA:
1HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
4.02Polar Surface Area:
54.12HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA5279496
Name:
N-(benzo[b]selenophen-2-ylmethyl)cyclohexanamineMol. Formula:
C15H19NSeM.W.:
292.28Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5279332
Name:
N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamideMol. Formula:
C16H17F3N2OM.W.:
310.32Type:
---AlogP:
4.25Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
4.15Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA5279106
Name:
N-((6-bromobenzo[b]selenophen-2-yl)methyl)cyclooctanamineMol. Formula:
C17H22BrNSeM.W.:
399.23Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
3.72Polar Surface Area:
65.12HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
3.96Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA5276236
Name:
(5-(4-nitro-1H-indol-1-yl)pentyl)triphenylphosphonium chlorideMol. Formula:
C31H31ClN2O2P+M.W.:
530.03Type:
---AlogP:
6.71Polar Surface Area:
48.07HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
---AlogP:
7.21Polar Surface Area:
26.71HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA5274922
Name:
N-cyclooctyl-6-(trifluoromethyl)-1H-indole-2-carboxamideMol. Formula:
C18H21F3N2OM.W.:
338.37Type:
---AlogP:
5.03Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
5.10Polar Surface Area:
12.03HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
4.66Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
3.92Polar Surface Area:
88.03HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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