ALA5275820Name:
(R)-4-(3-(cyclopentyloxy)-4-(fluoromethoxy)phenyl)pyrrolidin-2-oneMol. Formula:
C16H20FNO3M.W.:
293.34Type:
---AlogP:
2.92Polar Surface Area:
47.56HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
-2.88Polar Surface Area:
223.80HBA:
7HBD:
8#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.08DETAILS
ALA5092806Name:
(S)-N-(1-amino-6-(2-chloroacetimidamido)-1-oxohexan-2-yl)benzamideMol. Formula:
C15H21ClN4O2M.W.:
324.81Type:
UnknownAlogP:
1.25Polar Surface Area:
108.07HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
UnknownAlogP:
3.91Polar Surface Area:
97.32HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS-
Type:
UnknownAlogP:
6.58Polar Surface Area:
31.35HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
3.71Polar Surface Area:
150.35HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
6.94Polar Surface Area:
76.11HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4794439
Name:
4-(3-chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2(1H)-oneMol. Formula:
C17H18ClN3OM.W.:
315.80Type:
UnknownAlogP:
3.94Polar Surface Area:
45.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS -
Type:
UnknownAlogP:
4.30Polar Surface Area:
118.73HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
3.31Polar Surface Area:
98.41HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
9.43Polar Surface Area:
134.02HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
UnknownAlogP:
5.18Polar Surface Area:
97.39HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
5.41Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
3.83Polar Surface Area:
88.51HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
4.60Polar Surface Area:
100.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.39Polar Surface Area:
111.67HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
101.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.52Polar Surface Area:
101.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
101.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
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