Type:
UnknownAlogP:
4.12Polar Surface Area:
86.92HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
6.64Polar Surface Area:
102.42HBA:
3HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA2436439Name:
3-bromo-6-chloroimidazo[1,2-b]pyridazineCas Number:
13526-66-4Mol. Formula:
C6H3BrClN3M.W.:
232.47Type:
Small moleculeAlogP:
2.15Polar Surface Area:
30.19HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
46.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
78.66HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS-
Type:
Small moleculeAlogP:
5.22Polar Surface Area:
46.40HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
55.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
49.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
46.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
46.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
59.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
59.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
59.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
59.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA1078238
Name:
N-(2-chlorophenyl)-1H-indazole-3-carboxamideCas Number:
23765-17-5Mol. Formula:
C14H10ClN3OM.W.:
271.71Type:
Small moleculeAlogP:
3.47Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA1078237
Name:
N-(2-chlorophenyl)benzo[d]isoxazole-3-carboxamideMol. Formula:
C14H9ClN2O2M.W.:
272.69Type:
Small moleculeAlogP:
3.73Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.14Polar Surface Area:
41.99HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
34.03HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA1077587
Name:
N-(2-chlorophenyl)-1H-indole-3-carboxamideCas Number:
61788-27-0Mol. Formula:
C15H11ClN2OM.W.:
270.72Type:
Small moleculeAlogP:
4.07Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.82Polar Surface Area:
55.63HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
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