ALA5093061Name:
N-(4-methoxyphenyl)-4-(3-(4-methylpiperazin-1-yl)propoxy)-3-nitrobenzamideMol. Formula:
C22H28N4O5M.W.:
428.49Type:
UnknownAlogP:
2.87Polar Surface Area:
97.18HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
UnknownAlogP:
3.64Polar Surface Area:
90.70HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA5086350Name:
N-(4-methoxyphenyl)-3-amino-4-(3-(4-methylpiperazin-1-yl)propoxy)benzamideMol. Formula:
C22H30N4O3M.W.:
398.51Type:
UnknownAlogP:
2.55Polar Surface Area:
80.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA5084649Name:
N-(4-methoxyphenyl)-3-amino-4-(3-(dimethylamino)propoxy)benzamideMol. Formula:
C19H25N3O3M.W.:
343.43Type:
UnknownAlogP:
2.86Polar Surface Area:
76.82HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
UnknownAlogP:
2.28Polar Surface Area:
126.65HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA4452597
Name:
6-hydroxy-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)nicotinamideMol. Formula:
C13H9N5O2SM.W.:
299.31Type:
UnknownAlogP:
1.95Polar Surface Area:
100.89HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4440559
Name:
2-bromo-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamideMol. Formula:
C17H10BrN5OSM.W.:
412.27Type:
UnknownAlogP:
4.16Polar Surface Area:
80.66HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
145.51HBA:
10HBD:
8#RO5 Violations:
2#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
114.80HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
139.58HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
139.58HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
117.96HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
93.80HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.53Polar Surface Area:
75.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
84.43HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
67.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
72.92HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
69.68HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
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