ALA5221122Name:
2-(4-bromobenzylideneamino)thiophene-3-carbonitrileMol. Formula:
C12H7BrN2SM.W.:
291.17Type:
---AlogP:
4.13Polar Surface Area:
36.15HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5220825Name:
2-(3,4,5-trimethoxybenzylideneamino)thiophene-3-carbonitrileMol. Formula:
C15H14N2O3SM.W.:
302.36Type:
---AlogP:
3.40Polar Surface Area:
63.84HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA5220004Name:
2-((4-nitro-1H-indol-3-yl)methyleneamino)thiophene-3-carbonitrileMol. Formula:
C14H8N4O2SM.W.:
296.31Type:
---AlogP:
3.76Polar Surface Area:
95.08HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA5277280Name:
1,2-bis(2-(6-carboxyhexyl)phenyl)diazene 1-oxideMol. Formula:
C26H34N2O5M.W.:
454.57Type:
---AlogP:
6.77Polar Surface Area:
113.03HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA5286024Name:
2-(2-(4-carboxybutyl)phenyl)-1-(2-(6-carboxyhexyl)phenyl)diazene 1-oxideMol. Formula:
C24H30N2O5M.W.:
426.51Type:
---AlogP:
5.99Polar Surface Area:
113.03HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
---AlogP:
0.41Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5267899
Name:
1-(2-(4-carboxybutyl)phenyl)-2-(2-(6-carboxyhexyl)phenyl)diazene 1-oxideMol. Formula:
C24H30N2O5M.W.:
426.51Type:
---AlogP:
5.99Polar Surface Area:
113.03HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
---AlogP:
3.37Polar Surface Area:
36.15HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA5218959
Name:
2-(3-nitrobenzylideneamino)thiophene-3-carbonitrileMol. Formula:
C12H7N3O2SM.W.:
257.27Type:
---AlogP:
3.28Polar Surface Area:
79.29HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.77Polar Surface Area:
122.09HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
0.91Polar Surface Area:
94.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA465391
Name:
5'-Hydroxymethyl-5-[butyl-3-en-1-yn]-2,2'-bithiophene isovaleroxy esterMol. Formula:
C18H18O2S2M.W.:
330.47Type:
Small moleculeAlogP:
5.10Polar Surface Area:
26.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA465186
Name:
5'-Methyl-5-[4-(3-methyl-1-oxobutoxy)-1-butynyl]-2,2'-bithiopheneMol. Formula:
C18H20O2S2M.W.:
332.49Type:
Small moleculeAlogP:
5.12Polar Surface Area:
26.30HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
8.25Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.13Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
4.88Polar Surface Area:
88.43HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
130.88HBA:
14HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.19DETAILS
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