ALA5208709Name:
S-(Pyrimidin-2-yl)-5-(4-bromophenyl)thiophene-2-carbothioateMol. Formula:
C15H9BrN2OS2M.W.:
377.29Type:
---AlogP:
4.90Polar Surface Area:
42.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5207392Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(phenylethynyl)furan-2-carbothioateMol. Formula:
C16H10N2O2S2M.W.:
326.40Type:
---AlogP:
3.77Polar Surface Area:
55.99HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA5207081Name:
S-(4-Methylpyrimidin-2-yl)-1H-indole-2-carbothioateMol. Formula:
C14H11N3OSM.W.:
269.33Type:
---AlogP:
3.20Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA5204452Name:
S-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-1H-indole-2-carbothioateMol. Formula:
C12H9N3OS3M.W.:
307.43Type:
---AlogP:
3.67Polar Surface Area:
58.64HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA5204130Name:
S-(1,3,4-Thiadiazol-2-yl)-1H-indole-2-carbothioateMol. Formula:
C11H7N3OS2M.W.:
261.33Type:
---AlogP:
2.95Polar Surface Area:
58.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS- ALA5204064
Name:
S-(5-Methoxy-1,3,4-thiadiazol-2-yl)-1H-indole-2-carbothioateMol. Formula:
C12H9N3O2S2M.W.:
291.36Type:
---AlogP:
2.96Polar Surface Area:
67.87HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5199531
Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)-1-methyl-1H-indole-2-carbothioateMol. Formula:
C13H11N3OS2M.W.:
289.39Type:
---AlogP:
3.27Polar Surface Area:
47.78HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5199191
Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)-1H-indole-7-carbothioateMol. Formula:
C12H9N3OS2M.W.:
275.36Type:
---AlogP:
3.26Polar Surface Area:
58.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5192654
Name:
S-(Benzo[d]thiazol-2-yl)-1H-indole-2-carbothioateMol. Formula:
C16H10N2OS2M.W.:
310.40Type:
---AlogP:
4.71Polar Surface Area:
45.75HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA5191017
Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carbothioateMol. Formula:
C14H10N2OS2M.W.:
286.38Type:
---AlogP:
3.93Polar Surface Area:
42.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5189565
Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)-1H-indole-4-carbothioateMol. Formula:
C12H9N3OS2M.W.:
275.36Type:
---AlogP:
3.26Polar Surface Area:
58.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5188939
Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)-1H-indole-6-carbothioateMol. Formula:
C12H9N3OS2M.W.:
275.36Type:
---AlogP:
3.26Polar Surface Area:
58.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
2.96Polar Surface Area:
55.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA5177782
Name:
S-(Pyrimidin-2-yl)-5-phenylfuran-2-carbothioateMol. Formula:
C15H10N2O2SM.W.:
282.32Type:
---AlogP:
3.67Polar Surface Area:
55.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5173920
Name:
S-(5-Methyl-1,3,4-thiadiazol-2-yl)-1H-indole-5-carbothioateMol. Formula:
C12H9N3OS2M.W.:
275.36Type:
---AlogP:
3.26Polar Surface Area:
58.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
2.89Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
7.43Polar Surface Area:
186.50HBA:
5HBD:
7#RO5 Violations:
3#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.02DETAILS -
Type:
Small moleculeAlogP:
8.21Polar Surface Area:
186.50HBA:
5HBD:
7#RO5 Violations:
3#Rotatable Bonds:
30Passes Ro3:
NQED Weighted:
0.02DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
79.12HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
3.12Polar Surface Area:
111.90HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
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