ALA2425257Name:
6-(4-Fluorophenyl)-4,5-dihydro-4-phenyl-2H-indazol-3-olMol. Formula:
C19H15FN2OM.W.:
306.34Type:
Small moleculeAlogP:
3.92Polar Surface Area:
48.65HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
48.91HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA2272768Name:
6-(4-Fluorophenyl)-4,5-dihydro-4-(3-nitrophenyl)-2Hindazol-3-olMol. Formula:
C19H14FN3O3M.W.:
351.34Type:
Small moleculeAlogP:
4.24Polar Surface Area:
92.05HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA2272767Name:
4,5-Dihydro-6-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2H-indazol-3-olMol. Formula:
C22H22N2O4M.W.:
378.43Type:
Small moleculeAlogP:
4.22Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA2272766Name:
6-(3,4-Dichlorophenyl)-4,5-dihydro-4-(4-methoxyphenyl)-2H-indazol-3-olMol. Formula:
C20H16Cl2N2O2M.W.:
387.27Type:
Small moleculeAlogP:
5.51Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS- ALA2272765
Name:
6-(4-Chlorophenyl)-4,5-dihydro-4-(4-methoxyphenyl)-2Hindazol-3-olMol. Formula:
C20H17ClN2O2M.W.:
352.82Type:
Small moleculeAlogP:
4.85Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2272763
Name:
4-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-6-(4-nitrophenyl)-2H-indazol-3-olMol. Formula:
C20H15N3O5M.W.:
377.36Type:
Small moleculeAlogP:
3.83Polar Surface Area:
110.51HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2272762
Name:
4,5-Dihydro-4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2H-indazol-3-olMol. Formula:
C22H22N2O4M.W.:
378.43Type:
Small moleculeAlogP:
4.22Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2272761
Name:
4,5-Dihydro-4-(3,4,5-trimethoxyphenyl)-6-p-tolyl-2Hindazol-3-olMol. Formula:
C23H24N2O4M.W.:
392.46Type:
Small moleculeAlogP:
4.53Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.81Polar Surface Area:
48.91HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA2272759
Name:
4,5-Dihydro-4-(3,4-dimethoxyphenyl)-6-p-tolyl-2H-indazol-3-olMol. Formula:
C22H22N2O3M.W.:
362.43Type:
Small moleculeAlogP:
4.52Polar Surface Area:
67.37HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2272758
Name:
4,5-Dihydro-4-(3,4,5-trimethoxyphenyl)-6-phenyl-2Hindazol-3-olMol. Formula:
C22H22N2O4M.W.:
378.43Type:
Small moleculeAlogP:
4.22Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2272757
Name:
4,5-Dihydro-4-(4-methoxyphenyl)-6-phenyl-2H-indazol-3-olMol. Formula:
C20H18N2O2M.W.:
318.38Type:
Small moleculeAlogP:
4.20Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.50Polar Surface Area:
48.91HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2272755
Name:
4,5-Dihydro-4-(3,4-dimethoxyphenyl)-6-phenyl-2H-indazol-3-olMol. Formula:
C21H20N2O3M.W.:
348.40Type:
Small moleculeAlogP:
4.21Polar Surface Area:
67.37HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2272754
Name:
3-(4-Fluorophenyl)-5-phenyl-6-carbethoxy-2-cyclohexen-1-oneMol. Formula:
C21H19FO3M.W.:
338.38Type:
Small moleculeAlogP:
4.15Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2272753
Name:
3-(4-Fluorophenyl)-5-(3-nitrophenyl)-6-carbethoxy-2-cyclohexen-1-oneMol. Formula:
C21H18FNO5M.W.:
383.38Type:
Small moleculeAlogP:
4.05Polar Surface Area:
86.51HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA2272752
Name:
3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-6-carbethoxy-2-cyclohexen-1-oneMol. Formula:
C24H26O6M.W.:
410.47Type:
Small moleculeAlogP:
4.03Polar Surface Area:
71.06HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2272751
Name:
3-(3,4-Dichlorophenyl)-5-(4-methoxyphenyl)-6-carbethoxy-2-cyclohexen-1-oneMol. Formula:
C22H20Cl2O4M.W.:
419.30Type:
Small moleculeAlogP:
5.32Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS
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