ALA5275973Name:
2-(4-pyridyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one hydrochlorideMol. Formula:
C12H12ClN3OM.W.:
249.70Type:
---AlogP:
1.36Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.75DETAILS
Type:
---AlogP:
2.15Polar Surface Area:
141.56HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
---AlogP:
2.15Polar Surface Area:
141.56HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5285499Name:
(1R,3R)-N3-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamineMol. Formula:
C14H21N5M.W.:
259.36Type:
---AlogP:
1.97Polar Surface Area:
68.24HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
---AlogP:
2.34Polar Surface Area:
81.42HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS-
Type:
---AlogP:
4.54Polar Surface Area:
67.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
3.77Polar Surface Area:
74.23HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
2.20Polar Surface Area:
74.23HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
4.20Polar Surface Area:
78.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
6.38Polar Surface Area:
97.56HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
3.09Polar Surface Area:
83.46HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
2.64Polar Surface Area:
87.12HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
3.32Polar Surface Area:
74.23HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
---AlogP:
4.36Polar Surface Area:
74.35HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
4.42Polar Surface Area:
53.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
4.97Polar Surface Area:
146.53HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
---AlogP:
5.90Polar Surface Area:
261.85HBA:
16HBD:
5#RO5 Violations:
3#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
---AlogP:
4.37Polar Surface Area:
67.45HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
3.48Polar Surface Area:
83.46HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
3.02Polar Surface Area:
74.23HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
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