ALA5281282Name:
5-(4-((4-methylpiperidin-1-yl)sulfonyl)phenyl)isoxazoleMol. Formula:
C15H18N2O3SM.W.:
306.39Type:
---AlogP:
2.76Polar Surface Area:
63.41HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS
ALA5275527Name:
2-amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4H-chromene-3-carbonitrileMol. Formula:
C19H12N6OM.W.:
340.35Type:
---AlogP:
2.50Polar Surface Area:
102.12HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
---AlogP:
4.27Polar Surface Area:
50.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA5198879Name:
N-(4-carbamoylphenyl)-2-((3-chloro-2-methylphenyl)amino)benzamideMol. Formula:
C21H18ClN3O2M.W.:
379.85Type:
---AlogP:
4.74Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA5197844Name:
diethyl 6-phenyl-7H-indeno[2,1-c]quinolin-4-ylphosphonateMol. Formula:
C26H24NO3PM.W.:
429.46Type:
---AlogP:
6.36Polar Surface Area:
48.42HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS- ALA5197014
Name:
2-(4-Trifluoromethoxyphenyl)-4-(phenyl)-5H-indeno[1,2-b]pyridin-5-oneMol. Formula:
C25H14F3NO2M.W.:
417.39Type:
---AlogP:
6.53Polar Surface Area:
39.19HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA5196970
Name:
2-(4-Chlorophenyl)-4-(phenyl)-5H-indeno[1,2-b]pyridin-5-olMol. Formula:
C24H16ClNOM.W.:
369.85Type:
---AlogP:
6.13Polar Surface Area:
33.12HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5206014
Name:
2-(3-Fluorophenyl)-4-(phenyl)-5H-indeno[1,2-b]pyridin-5-olMol. Formula:
C24H16FNOM.W.:
353.40Type:
---AlogP:
5.62Polar Surface Area:
33.12HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5203701
Name:
diethyl 6-(4-methoxyphenyl)-7-oxo-7H-indeno[2,1-c]quinolin-4-ylphosphonateMol. Formula:
C27H24NO5PM.W.:
473.47Type:
---AlogP:
6.01Polar Surface Area:
74.72HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
7.20Polar Surface Area:
47.56HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA5203187
Name:
diethyl 6-(4-fluorophenyl)-7H-indeno[2,1-c]quinolin-4-ylphosphonateMol. Formula:
C26H23FNO3PM.W.:
447.45Type:
---AlogP:
6.50Polar Surface Area:
48.42HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
2.13Polar Surface Area:
83.24HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA5202793
Name:
4-(2-((3-chloro-2-methylphenyl)amino)benzamido)phenyl 2-methoxyacetateMol. Formula:
C23H21ClN2O4M.W.:
424.88Type:
---AlogP:
5.20Polar Surface Area:
76.66HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA5202650
Name:
2-(3-Trifluoromethoxyphenyl)-4-(phenyl)-5H-indeno[1,2-b]pyridin-5-olMol. Formula:
C25H16F3NO2M.W.:
419.40Type:
---AlogP:
6.38Polar Surface Area:
42.35HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5202411
Name:
diethyl 6-(naphthalen-1-yl)-7-oxo-7H-indeno[2,1-c]quinolin-4-ylphosphonateMol. Formula:
C30H24NO4PM.W.:
493.50Type:
---AlogP:
7.16Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
6.06Polar Surface Area:
56.79HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5202186
Name:
2-(3-Bromophenyl)-4-(phenyl)-5H-indeno[1,2-b]pyridin-5-oneMol. Formula:
C24H14BrNOM.W.:
412.29Type:
---AlogP:
6.39Polar Surface Area:
29.96HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA5201713
Name:
2-(3-Fluorophenyl)-4-(phenyl)-5H-indeno[1,2-b]pyridin-5-oneMol. Formula:
C24H14FNOM.W.:
351.38Type:
---AlogP:
5.77Polar Surface Area:
29.96HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
6.55Polar Surface Area:
88.69HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
7.20Polar Surface Area:
47.56HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS
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