Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
5.85Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS- ALA513286
Name:
(3-Phenoxymethyl-benzenesulfonyl)-acetic acid sodium saltMol. Formula:
C15H13NaO5SM.W.:
328.32Type:
Small moleculeAlogP:
2.12Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA463591
Name:
(4-Phenethylamino-benzenesulfonyl) acetic acid sodium saltMol. Formula:
C16H16NNaO4SM.W.:
341.36Type:
Small moleculeAlogP:
2.20Polar Surface Area:
83.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA512555
Name:
(4-Phenylsulfanyl-benzenesulfonyl)-acetic acid sodium saltMol. Formula:
C14H11NaO4S2M.W.:
330.36Type:
Small moleculeAlogP:
2.70Polar Surface Area:
71.44HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA458533
Name:
2-(Biphenyl-4-sulfonyl)-2-methylpropionic acid sodium saltMol. Formula:
C16H15NaO4SM.W.:
326.35Type:
Small moleculeAlogP:
2.99Polar Surface Area:
71.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - 5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
Name:
5-Bromo-2-hydroxy-biphenyl-3-carboxylic acidMol. Formula:
C13H9BrO3M.W.:
293.12Type:
Small moleculeAlogP:
3.52Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA106454
Name:
(2E,4E)-5-[3-(3,5-Dichloro-phenoxy)-phenyl]-penta-2,4-dienoic acidMol. Formula:
C17H12Cl2O3M.W.:
335.19Type:
Small moleculeAlogP:
5.44Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA106470
Name:
(2E,4E)-5-(4-Phenoxy-phenyl)-penta-2,4-dienoic acidMol. Formula:
C17H14O3M.W.:
266.30Type:
Small moleculeAlogP:
4.13Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - 4-(4-Fluorophenyl)benzoic acid
Name:
4'-Fluoro-biphenyl-4-carboxylic acidMol. Formula:
C13H9FO2M.W.:
216.21Type:
Small moleculeAlogP:
3.19Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - 3'，5'-Dichloro-[1，1'-biphenyl]-4-carboxylic acid
Name:
3',5'-Dichloro-biphenyl-4-carboxylic acidMol. Formula:
C13H8Cl2O2M.W.:
267.11Type:
Small moleculeAlogP:
4.36Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS
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