Type:
UnknownAlogP:
2.79Polar Surface Area:
62.13HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
UnknownAlogP:
5.42Polar Surface Area:
87.36HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
UnknownAlogP:
4.71Polar Surface Area:
48.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
UnknownAlogP:
6.01Polar Surface Area:
51.54HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
UnknownAlogP:
5.23Polar Surface Area:
81.00HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS-
Type:
UnknownAlogP:
4.44Polar Surface Area:
70.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
2.62Polar Surface Area:
40.62HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2205810
Name:
3-methyl-1,10-phenanthrolineCas Number:
17044-07-4Mol. Formula:
C13H10N2M.W.:
194.24Type:
Small moleculeAlogP:
3.09Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2205809
Name:
3,8-dimethyl-1,10-phenanthrolineCas Number:
3002-80-0Mol. Formula:
C14H12N2M.W.:
208.26Type:
Small moleculeAlogP:
3.40Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2205808
Name:
4,4'-dimethoxy-2,2'-bipyridineCas Number:
17217-57-1Mol. Formula:
C12H12N2O2M.W.:
216.24Type:
Small moleculeAlogP:
2.16Polar Surface Area:
44.24HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA2205807
Name:
5,5'-dimethyl-2,2'-bipyridineCas Number:
1762-34-1Mol. Formula:
C12H12N2M.W.:
184.24Type:
Small moleculeAlogP:
2.76Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS - ALA2205806
Name:
6,6'-dimethyl-2,2'-bipyridineCas Number:
4411-80-7Mol. Formula:
C12H12N2M.W.:
184.24Type:
Small moleculeAlogP:
2.76Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS - ALA2205805
Name:
4'-Chloro-[2,2';6',2'']terpyridineCas Number:
128143-89-5Mol. Formula:
C15H10ClN3M.W.:
267.72Type:
Small moleculeAlogP:
3.86Polar Surface Area:
38.67HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA2205804
Name:
[2,2';6',2'']Terpyridin-4'-olCas Number:
128143-88-4Mol. Formula:
C15H11N3OM.W.:
249.27Type:
Small moleculeAlogP:
2.91Polar Surface Area:
58.90HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2205803
Name:
1,10-phenanthroline-2,9-dicarbaldehydeCas Number:
57709-62-3Mol. Formula:
C14H8N2O2M.W.:
236.23Type:
Small moleculeAlogP:
2.41Polar Surface Area:
59.92HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2205802
Name:
2,9-(Bishydroxymethyl)-1,10-phenanthrolineCas Number:
78831-36-4Mol. Formula:
C14H12N2O2M.W.:
240.26Type:
Small moleculeAlogP:
1.77Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2205801
Name:
4,7-Diformyl-1,10-phenanthrolineCas Number:
130897-87-9Mol. Formula:
C14H8N2O2M.W.:
236.23Type:
Small moleculeAlogP:
2.41Polar Surface Area:
59.92HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA1623498
Name:
4,7-Dihydroxy-1,10-phenanthrolineCas Number:
3922-40-5Mol. Formula:
C12H8N2O2M.W.:
212.21Type:
Small moleculeAlogP:
2.19Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
68.95HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
89.04HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
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