ALA2260972Name:
3-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-oxo-1-phenylpropan-2-yl nicotinateMol. Formula:
C21H16N4O3M.W.:
372.38Type:
Small moleculeAlogP:
2.93Polar Surface Area:
86.97HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA2260971Name:
3-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-oxo-1-phenylpropan-2-yl isonicotinateMol. Formula:
C21H16N4O3M.W.:
372.38Type:
Small moleculeAlogP:
2.93Polar Surface Area:
86.97HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
86.97HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
5.28Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS-
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
43.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2229909
Name:
3-(5-fluoro-2,4-dinitrophenyl)-2-nitrothiopheneMol. Formula:
C10H4FN3O6SM.W.:
313.22Type:
Small moleculeAlogP:
3.28Polar Surface Area:
129.42HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2229908
Name:
2-nitro-3-(3,4,6-trichloro-2-nitrophenyl)thiopheneMol. Formula:
C10H3Cl3N2O4SM.W.:
353.57Type:
Small moleculeAlogP:
5.19Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA2229907
Name:
3-(5-chloro-4-fluoro-2-nitrophenyl)-2-nitrothiopheneMol. Formula:
C10H4ClFN2O4SM.W.:
302.67Type:
Small moleculeAlogP:
4.02Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2229906
Name:
3-(2,4-dichloro-6-nitrophenyl)-2-nitrothiopheneMol. Formula:
C10H4Cl2N2O4SM.W.:
319.12Type:
Small moleculeAlogP:
4.54Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2229901
Name:
4-(5-fluoro-2,4-dinitrophenyl)-2-nitrothiopheneMol. Formula:
C10H4FN3O6SM.W.:
313.22Type:
Small moleculeAlogP:
3.28Polar Surface Area:
129.42HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2229900
Name:
2-nitro-4-(3,4,6-trichloro-2-nitrophenyl)thiopheneMol. Formula:
C10H3Cl3N2O4SM.W.:
353.57Type:
Small moleculeAlogP:
5.19Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS
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