Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3272977Name:
6-methyl-1,2,4-triazine-3,5-dithiolCas Number:
452-88-0Mol. Formula:
C4H5N3S2M.W.:
159.24Type:
Small moleculeAlogP:
0.76Polar Surface Area:
38.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
1.71Polar Surface Area:
88.33HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA3272973Name:
6-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamineMol. Formula:
C11H13N5O2M.W.:
247.26Type:
Small moleculeAlogP:
0.72Polar Surface Area:
109.17HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
Small moleculeAlogP:
1.72Polar Surface Area:
90.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.81DETAILS-
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
93.09HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.79Polar Surface Area:
110.49HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3272726
Name:
6-(4-methoxyphenylthio)quinazoline-2,4-diamineMol. Formula:
C15H14N4OSM.W.:
298.37Type:
Small moleculeAlogP:
2.95Polar Surface Area:
87.05HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
0.68Polar Surface Area:
86.98HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3272564
Name:
5-((butylamino)methyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C9H15N3O2M.W.:
197.24Type:
Small moleculeAlogP:
-0.05Polar Surface Area:
77.75HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
1.54Polar Surface Area:
106.84HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
106.84HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.62Polar Surface Area:
116.07HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
7.29Polar Surface Area:
24.83HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
77.82HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
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