ALA5281963Name:
4-((7-chloroquinolin-4-yl)amino)-2-((hexylamino)methyl)phenolMol. Formula:
C22H26ClN3OM.W.:
383.92Type:
---AlogP:
6.01Polar Surface Area:
57.18HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA5281554Name:
4-((7-iodoquinolin-4-yl)amino)-2-((methyl(octyl)amino)methyl)phenolMol. Formula:
C25H32IN3OM.W.:
517.46Type:
---AlogP:
7.08Polar Surface Area:
48.39HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.16DETAILS
ALA5275329Name:
2-((diethylamino)methyl)-4-((7-iodoquinolin-4-yl)amino)phenolMol. Formula:
C20H22IN3OM.W.:
447.32Type:
---AlogP:
5.13Polar Surface Area:
48.39HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
-3.11Polar Surface Area:
187.23HBA:
12HBD:
5#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA5287023Name:
4-((7-chloro-3-phenoxyquinolin-4-yl)amino)-2-((diethylamino)methyl)phenolMol. Formula:
C26H26ClN3O2M.W.:
447.97Type:
---AlogP:
6.97Polar Surface Area:
57.62HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS-
Type:
---AlogP:
3.94Polar Surface Area:
87.51HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
---AlogP:
2.06Polar Surface Area:
203.55HBA:
13HBD:
4#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA5200782
Name:
(3R,5R)-N-(4-aminocyclohexyl)-3-methyl-5-phenyl-adamantane-1-carboxamideMol. Formula:
C24H34N2OM.W.:
366.55Type:
---AlogP:
4.30Polar Surface Area:
55.12HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
7.92Polar Surface Area:
79.17HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
5.04Polar Surface Area:
81.51HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
6.72Polar Surface Area:
160.60HBA:
11HBD:
1#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA5176722
Name:
2-phenyl-4-(1,2,2,2-tetrafluoroethyl)-3H-benzo[b][1,4]diazepineMol. Formula:
C17H12F4N2M.W.:
320.29Type:
---AlogP:
5.18Polar Surface Area:
24.72HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5172194
Name:
2-((2-(1-benzylpiperidin-4-yl)ethyl)amino)-N-(9H-carbazol-9-yl)acetamideMol. Formula:
C28H32N4OM.W.:
440.59Type:
---AlogP:
4.76Polar Surface Area:
49.30HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5171151
Name:
N'-(2-((5-chloro-2-nitrophenyl)thio)phenyl)-2-(diethylamino)acetohydrazideMol. Formula:
C18H21ClN4O3SM.W.:
408.91Type:
---AlogP:
4.18Polar Surface Area:
87.51HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
5.50Polar Surface Area:
75.71HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
9.52Polar Surface Area:
95.14HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
9.52Polar Surface Area:
95.14HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
9.52Polar Surface Area:
95.14HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
9.64Polar Surface Area:
85.91HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
9.93Polar Surface Area:
85.91HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS
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