Type:
---AlogP:
2.71Polar Surface Area:
47.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA2170257Name:
3-(biphenyl-4-yl)-2-(4-methoxyphenyl)-5-phenylisoxazolidineMol. Formula:
C28H25NO2M.W.:
407.51Type:
Small moleculeAlogP:
6.99Polar Surface Area:
21.70HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA2170256Name:
(3-(biphenyl-4-yl)-2-(4-methoxyphenyl)isoxazolidin-5-yl)methanolMol. Formula:
C23H23NO3M.W.:
361.44Type:
Small moleculeAlogP:
4.61Polar Surface Area:
41.93HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA2170255Name:
3-(biphenyl-4-yl)-2-(4-fluorophenyl)-5-phenylisoxazolidineMol. Formula:
C27H22FNOM.W.:
395.48Type:
Small moleculeAlogP:
7.12Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
122.08HBA:
11HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
95.78HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
2.56Polar Surface Area:
122.08HBA:
11HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
95.78HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
4.53Polar Surface Area:
112.85HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
95.78HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
95.78HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
95.78HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA2041734
Name:
2-(3-(Methylthio)-5-propyl-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dioneMol. Formula:
C14H14N4O2SM.W.:
302.36Type:
Small moleculeAlogP:
1.88Polar Surface Area:
68.09HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
85.16HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS
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