Type:
UnknownAlogP:
0.86Polar Surface Area:
212.06HBA:
7HBD:
7#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
UnknownAlogP:
1.66Polar Surface Area:
200.59HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4176703Name:
(+/-)-trans-3-(4-fluorophenyl)-2-(thiiran-2-yl)propanoic acidMol. Formula:
C11H11FO2SM.W.:
226.27Type:
Small moleculeAlogP:
2.18Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4173339Name:
(+/-)-trans-3-(4-iodophenyl)-2-(thiiran-2-yl)propanoic acidMol. Formula:
C11H11IO2SM.W.:
334.18Type:
Small moleculeAlogP:
2.65Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
Small moleculeAlogP:
1.60Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4168849
Name:
(+/-)-trans-3-(4-fluorophenyl)-2-(oxiran-2-yl)propanoic acidMol. Formula:
C11H11FO3M.W.:
210.20Type:
Small moleculeAlogP:
1.47Polar Surface Area:
49.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4167456
Name:
(+/-)-trans-4-methyl-2-(thiiran-2-yl)pentanoic acidMol. Formula:
C8H14O2SM.W.:
174.26Type:
Small moleculeAlogP:
1.85Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4165424
Name:
(+/-)-trans-3-(4-iodophenyl)-2-(oxiran-2-yl)propanoic acidMol. Formula:
C11H11IO3M.W.:
318.11Type:
Small moleculeAlogP:
1.93Polar Surface Area:
49.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA565957
Name:
(+/-)-2-benzyl-5,5,5-trifluoro-4-oxopentanoic acidMol. Formula:
C12H11F3O3M.W.:
260.21Type:
Small moleculeAlogP:
2.45Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
0.55Polar Surface Area:
288.48HBA:
9HBD:
10#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
3.41Polar Surface Area:
275.83HBA:
10HBD:
10#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
235.37HBA:
8HBD:
8#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
235.37HBA:
8HBD:
8#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
80.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
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