ALA5198595Name:
1-(4-Chlorophenyl)-3-(4-oxo-2-thioxothiazolidin-3-yl)pyrrolidine-2,5-dioneMol. Formula:
C13H9ClN2O3S2M.W.:
340.81Type:
---AlogP:
1.83Polar Surface Area:
57.69HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
---AlogP:
3.20Polar Surface Area:
86.79HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
4.90Polar Surface Area:
100.83HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
---AlogP:
3.96Polar Surface Area:
121.06HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
96.24HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS-
Type:
Small moleculeAlogP:
4.50Polar Surface Area:
84.21HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
93.44HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
1.86Polar Surface Area:
147.70HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
2.15Polar Surface Area:
127.47HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
107.24HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
0.29Polar Surface Area:
120.90HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
6.59Polar Surface Area:
29.02HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4172485
Name:
10-(4-nitrophenyl)-10H-dipyrido[3,4-b:3',4'-e][1,4]thiazineMol. Formula:
C16H10N4O2SM.W.:
322.35Type:
Small moleculeAlogP:
4.32Polar Surface Area:
72.16HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4168662
Name:
6-(4-Nitro-phenyl)-6H-13-thia-5,6,7-triaza-pentaceneMol. Formula:
C24H14N4O2SM.W.:
422.47Type:
Small moleculeAlogP:
6.63Polar Surface Area:
72.16HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4165272
Name:
10-methyl-10H-dipyrido[3,4-b:3',4'-e][1,4]thiazineMol. Formula:
C11H9N3SM.W.:
215.28Type:
Small moleculeAlogP:
2.71Polar Surface Area:
29.02HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4160742
Name:
6-Pyridin-2-yl-6H-13-thia-5,6,7-triaza-pentaceneMol. Formula:
C23H14N4SM.W.:
378.46Type:
Small moleculeAlogP:
6.11Polar Surface Area:
41.91HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
5.63Polar Surface Area:
24.06HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
5.81Polar Surface Area:
6.25HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
72.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
81.93HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS
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