ALA5272241Name:
N-cyclooctyl-6-(trifluoromethyl)benzo[b]thiophene-2-carboxamideMol. Formula:
C18H20F3NOSM.W.:
355.43Type:
---AlogP:
5.76Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA5271949Name:
N-((5-fluoro-1H-indol-2-yl)methyl)cyclooctanamineMol. Formula:
C17H23FN2M.W.:
274.38Type:
---AlogP:
4.51Polar Surface Area:
27.82HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
---AlogP:
4.32Polar Surface Area:
12.03HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA5270163Name:
N-((6-methoxy-1H-indol-2-yl)methyl)cyclooctanamineMol. Formula:
C18H26N2OM.W.:
286.42Type:
---AlogP:
4.38Polar Surface Area:
37.05HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
ALA5269938Name:
N-((6-(trifluoromethyl)benzo[b]thiophen-2-yl)methyl)cyclooctanamineMol. Formula:
C18H22F3NSM.W.:
341.44Type:
---AlogP:
6.12Polar Surface Area:
12.03HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS- ALA5269648
Name:
(E)-2-(2-((1H-indol-3-yl)methylene)hydrazineyl)-1,3,4-thiadiazoleMol. Formula:
C11H9N5SM.W.:
243.30Type:
---AlogP:
2.47Polar Surface Area:
65.96HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA5269435
Name:
N-(benzo[b]selenophen-2-ylmethyl)cycloheptanamineMol. Formula:
C16H21NSeM.W.:
306.31Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5269175
Name:
N-((5-methoxy-1H-indol-2-yl)methyl)cyclooctanamineMol. Formula:
C18H26N2OM.W.:
286.42Type:
---AlogP:
4.38Polar Surface Area:
37.05HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA5269051
Name:
N-adamantan-1-yl)benzo[b]selenophene-2-carboxamideMol. Formula:
C19H21NOSeM.W.:
358.34Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5268651
Name:
N-((6-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 - ALA5268122
Name:
N-(benzo[b]selenophen-2-ylmethyl)cyclooctanamineMol. Formula:
C17H23NSeM.W.:
320.34Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - 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
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