ALA5290420Name:
4,6-dichloro-N-(4'-fluorobiphenyl-4-yl)-1,3,5-triazin-2-amineMol. Formula:
C15H9Cl2FN4M.W.:
335.17Type:
---AlogP:
4.73Polar Surface Area:
50.70HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
3.68Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA2315314Name:
2-(sec-Butyldisulfanyl)-3H-imidazo[4,5-c]pyridineMol. Formula:
C10H13N3S2M.W.:
239.37Type:
Small moleculeAlogP:
3.50Polar Surface Area:
41.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
3.62Polar Surface Area:
12.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA2315312
Name:
2-(sec-Butyldisulfanyl)-6-fluorobenzo[d]thiazoleMol. Formula:
C11H12FNS3M.W.:
273.42Type:
Small moleculeAlogP:
4.97Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
5.44Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA2315310
Name:
2-(sec-Butyldisulfanyl)-6-chlorobenzo[d]thiazoleMol. Formula:
C11H12ClNS3M.W.:
289.88Type:
Small moleculeAlogP:
5.49Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2315309
Name:
5-Bromo-2-(sec-butyldisulfanyl)benzo[d]thiazoleMol. Formula:
C11H12BrNS3M.W.:
334.33Type:
Small moleculeAlogP:
5.60Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA2315308
Name:
4-Bromo-2-(sec-butyldisulfanyl)benzo[d]thiazoleMol. Formula:
C11H12BrNS3M.W.:
334.33Type:
Small moleculeAlogP:
5.60Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA2315307
Name:
2-(sec-Butyldisulfanyl)-6-nitrobenzo[d]thiazoleMol. Formula:
C11H12N2O2S3M.W.:
300.43Type:
Small moleculeAlogP:
4.74Polar Surface Area:
56.03HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
4.25Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
26.03HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
5.37Polar Surface Area:
12.89HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2315298
Name:
2-(sec-Butyldisulfanyl)-6-chloro-5-fluoro-1H-benzo[d]imidazoleMol. Formula:
C11H12ClFN2S2M.W.:
290.82Type:
Small moleculeAlogP:
4.89Polar Surface Area:
28.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
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