ALA4648212Name:
4-(3-(3-methoxyphenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C17H14O4M.W.:
282.30Type:
UnknownAlogP:
3.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA4647777Name:
4-(3-(3-hydroxyphenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C16H12O4M.W.:
268.27Type:
UnknownAlogP:
2.99Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA4647693Name:
4-(3-(4-fluorophenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C16H11FO3M.W.:
270.26Type:
UnknownAlogP:
3.42Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4647350Name:
4-(3-(3,5-dimethoxyphenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C18H16O5M.W.:
312.32Type:
UnknownAlogP:
3.30Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA4646138Name:
4-(3-(4-hydroxy-3-methoxyphenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C17H14O5M.W.:
298.29Type:
UnknownAlogP:
3.00Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
UnknownAlogP:
3.59Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4640018
Name:
4-(3-(2-methoxyphenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C17H14O4M.W.:
282.30Type:
UnknownAlogP:
3.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4638843
Name:
4-(3-(4-bromophenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C16H11BrO3M.W.:
331.17Type:
UnknownAlogP:
4.04Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4638054
Name:
4-(3-(3-nitrophenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C16H11NO5M.W.:
297.27Type:
UnknownAlogP:
3.19Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4637558
Name:
4-(3-(naphthalen-1-yl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C20H14O3M.W.:
302.33Type:
UnknownAlogP:
4.43Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
2.61Polar Surface Area:
92.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4634879
Name:
4-(3-(1H-imidazol-1-yl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C13H10N2O3M.W.:
242.23Type:
UnknownAlogP:
1.93Polar Surface Area:
72.19HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4634599
Name:
4-(3-(4-methoxyphenyl)-3-oxoprop-1-enyl)benzoic acidMol. Formula:
C17H14O4M.W.:
282.30Type:
UnknownAlogP:
3.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA3910462
Name:
3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-olMol. Formula:
C13H8F6O2M.W.:
310.19Type:
Small moleculeAlogP:
3.86Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
67.77HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
105.67HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.73Polar Surface Area:
92.51HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
5.06Polar Surface Area:
93.79HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.04Polar Surface Area:
96.87HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
7.39Polar Surface Area:
96.87HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS
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