ALA5272677Name:
N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-bromopropanamideMol. Formula:
C15H13BrN4OM.W.:
345.20Type:
---AlogP:
3.35Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
---AlogP:
3.15Polar Surface Area:
77.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
5.10Polar Surface Area:
99.58HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA5270127Name:
N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-chloroacetamideMol. Formula:
C14H11ClN4OM.W.:
286.72Type:
---AlogP:
2.80Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
---AlogP:
0.30Polar Surface Area:
130.38HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS-
Type:
---AlogP:
1.54Polar Surface Area:
99.25HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
2.56Polar Surface Area:
106.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
2.24Polar Surface Area:
90.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
2.84Polar Surface Area:
77.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
3.15Polar Surface Area:
77.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
2.69Polar Surface Area:
90.02HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
2.17Polar Surface Area:
110.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5287531
Name:
N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)acetamideMol. Formula:
C14H12N4OM.W.:
252.28Type:
---AlogP:
2.58Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
2.71Polar Surface Area:
101.50HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
1.90Polar Surface Area:
126.96HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
2.95Polar Surface Area:
110.31HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
4.53Polar Surface Area:
101.38HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5205601
Name:
N-(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)acrylamideMol. Formula:
C16H13N3OM.W.:
263.30Type:
---AlogP:
3.35Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
2.88Polar Surface Area:
101.08HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
---AlogP:
2.55Polar Surface Area:
115.96HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.38DETAILS
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