ALA4879317Name:
5-(4-(Tert-butyl)phenyl)-1-(4-(pyridin-4-yl)benzyl)-1H-indoleMol. Formula:
C30H28N2M.W.:
416.57Type:
UnknownAlogP:
7.72Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA4879233Name:
N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamideMol. Formula:
C15H19N3OM.W.:
257.34Type:
UnknownAlogP:
1.90Polar Surface Area:
56.92HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.79DETAILS
Type:
UnknownAlogP:
1.56Polar Surface Area:
103.77HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4878893Name:
6-(4-Fluorophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamideMol. Formula:
C21H22FN3OM.W.:
351.43Type:
UnknownAlogP:
3.70Polar Surface Area:
56.92HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
3.81Polar Surface Area:
89.44HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS- ALA4878816
Name:
(4-(5-(Benzyloxy)-3-(4-(furan-3-yl)phenyl)pyrazin-2-yl)phenyl)methanamineMol. Formula:
C28H23N3O2M.W.:
433.51Type:
UnknownAlogP:
6.11Polar Surface Area:
74.17HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
3.23Polar Surface Area:
103.77HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4878362
Name:
(S)-1-(6,7-Dihydroxy-2-naphthoyl)-N-phenylpyrrolidine-2-carboxamideMol. Formula:
C22H20N2O4M.W.:
376.41Type:
UnknownAlogP:
3.49Polar Surface Area:
89.87HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
2.01Polar Surface Area:
102.32HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4878194
Name:
5-(2,4-difluorophenyl)-N-(piperidin-4-ylmethyl)-1H-indole-3-carboxamideMol. Formula:
C21H21F2N3OM.W.:
369.42Type:
UnknownAlogP:
3.84Polar Surface Area:
56.92HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4877937
Name:
N-(5,6-Dihydroxybenzo[d]thiazol-2-yl)-2,2-bis-(4-chlorophenyl)acetamideMol. Formula:
C21H14Cl2N2O3SM.W.:
445.33Type:
UnknownAlogP:
5.78Polar Surface Area:
82.45HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
3.39Polar Surface Area:
62.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
3.39Polar Surface Area:
131.78HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
4.23Polar Surface Area:
128.62HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
3.52Polar Surface Area:
101.74HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4876540
Name:
6-(4-Cyanophenyl)-N-(piperidin-4-yl)benzofuran-3-carboxamideMol. Formula:
C21H19N3O2M.W.:
345.40Type:
UnknownAlogP:
3.45Polar Surface Area:
78.06HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4876027
Name:
6-(4-(tert-butyl)phenyl)-N-(piperidin-4-ylmethyl)-1H-indole-3-carboxamideMol. Formula:
C25H31N3OM.W.:
389.54Type:
UnknownAlogP:
4.86Polar Surface Area:
56.92HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.09Polar Surface Area:
103.01HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4875360
Name:
N-(piperidin-4-ylmethyl)-6-(p-tolyl)-1H-indole-3-carboxamideMol. Formula:
C22H25N3OM.W.:
347.46Type:
UnknownAlogP:
3.87Polar Surface Area:
56.92HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
UnknownAlogP:
4.15Polar Surface Area:
82.29HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
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