ALA3116047Name:
2-Piperidinyl-4-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C21H25ClN6M.W.:
396.93Type:
Small moleculeAlogP:
4.58Polar Surface Area:
65.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA3116046Name:
2-Morpholinyl-4-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C20H23ClN6OM.W.:
398.90Type:
Small moleculeAlogP:
3.43Polar Surface Area:
75.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA3116045Name:
4-Pyrolidinyl-2-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C20H23ClN6M.W.:
382.90Type:
Small moleculeAlogP:
4.19Polar Surface Area:
65.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA3116044Name:
4-Piprazinyl-2-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C20H24ClN7M.W.:
397.91Type:
Small moleculeAlogP:
3.00Polar Surface Area:
78.00HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA3116042Name:
4-Morpholinyl-2-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C20H23ClN6OM.W.:
398.90Type:
Small moleculeAlogP:
3.43Polar Surface Area:
75.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS- 4-(4-Chloropyrimidin-2-yl)morpholine
Name:
4-Chloro-2-morpholinopyrimidineMol. Formula:
C8H10ClN3OM.W.:
199.64Type:
Small moleculeAlogP:
0.97Polar Surface Area:
38.25HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3116040
Name:
2-Chloro-4-[(7-chloroquinolin-4-ylamino)octylamino]pyrimidineMol. Formula:
C21H25Cl2N5M.W.:
418.37Type:
Small moleculeAlogP:
6.20Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA3116039
Name:
2-Chloro-4-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C16H15Cl2N5M.W.:
348.24Type:
Small moleculeAlogP:
4.25Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3116038
Name:
2-Chloro-4-[(7-chloroquinolin-4-ylamino)ethylamino]pyrimidineMol. Formula:
C15H13Cl2N5M.W.:
334.21Type:
Small moleculeAlogP:
3.86Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3116037
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)propoxy]pyrimidineMol. Formula:
C16H14Cl2N4OM.W.:
349.22Type:
Small moleculeAlogP:
4.21Polar Surface Area:
59.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3116036
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)dodecylamino]-pyrimidineMol. Formula:
C25H33Cl2N5M.W.:
474.48Type:
Small moleculeAlogP:
7.76Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA3116035
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)decylamino]pyrimidineMol. Formula:
C23H29Cl2N5M.W.:
446.43Type:
Small moleculeAlogP:
6.98Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA3116034
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)octylamino]pyrimidineMol. Formula:
C21H25Cl2N5M.W.:
418.37Type:
Small moleculeAlogP:
6.20Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA3116033
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)heptylamino]-pyrimidineMol. Formula:
C20H23Cl2N5M.W.:
404.35Type:
Small moleculeAlogP:
5.81Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA3116032
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)butylamino]pyrimidineMol. Formula:
C17H17Cl2N5M.W.:
362.26Type:
Small moleculeAlogP:
4.64Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3116031
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)propylamino]-pyrimidineMol. Formula:
C16H15Cl2N5M.W.:
348.24Type:
Small moleculeAlogP:
4.25Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3116030
Name:
4-Chloro-2-[(7-chloroquinolin-4-ylamino)ethylamino]pyrimidineMol. Formula:
C15H13Cl2N5M.W.:
334.21Type:
Small moleculeAlogP:
3.86Polar Surface Area:
62.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
59.97HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
59.97HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.69Polar Surface Area:
69.20HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS
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