ALA5093058Name:
2-Chloro-1,10-phenanthroline hemi-hexafluorophosphate(V)Mol. Formula:
C12H8ClF6N2PM.W.:
360.63Type:
UnknownAlogP:
3.44Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA5089382Name:
3,4,7,8-tetramethyl-1,10-phenanthroline hemi-hexafluorophosphate(V)Mol. Formula:
C16H17F6N2PM.W.:
382.29Type:
UnknownAlogP:
4.02Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA5086217Name:
5-Amino-1,10-phenanthroline hemi-hexafluorophosphate(V)Mol. Formula:
C12H10F6N3PM.W.:
341.20Type:
UnknownAlogP:
2.37Polar Surface Area:
51.80HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.44DETAILS
ALA5081654Name:
4,7-diphenyl-1,10-phenanthroline hemi-hexafluorophosphate(V)Mol. Formula:
C24H17F6N2PM.W.:
478.38Type:
UnknownAlogP:
6.12Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA5081058Name:
1,10-phenanthrolin-1-ium hemi-hexafluorophosphate(V)Mol. Formula:
C12H9F6N2PM.W.:
326.18Type:
UnknownAlogP:
2.78Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.50DETAILS- ALA5080118
Name:
5-Nitro-1,10-phenanthroline hemi-hexafluorophosphate(V)Mol. Formula:
C12H8F6N3O2PM.W.:
371.18Type:
UnknownAlogP:
2.69Polar Surface Area:
68.92HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA5079826
Name:
2,9-dimethyl-1,10-phenanthroline hemi-hexafluorophosphate(V)Mol. Formula:
C14H13F6N2PM.W.:
354.23Type:
UnknownAlogP:
3.40Polar Surface Area:
25.78HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.67Polar Surface Area:
94.32HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-1.25Polar Surface Area:
185.61HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
224.70HBA:
12HBD:
8#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
96.97HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
92.04HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.90Polar Surface Area:
82.81HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA2431554
Name:
6-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2(1H)-oneMol. Formula:
C20H18N2O6M.W.:
382.37Type:
Small moleculeAlogP:
3.44Polar Surface Area:
92.83HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2333253
Name:
2-(3-fluorobenzyloxy)benzaldehyde O-1-methylpiperidin-3-yl oximeMol. Formula:
C20H23FN2O2M.W.:
342.41Type:
Small moleculeAlogP:
3.85Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2333251
Name:
2-(benzyloxy)benzaldehyde O-1-methylpiperidin-3-yl oximeMol. Formula:
C20H24N2O2M.W.:
324.42Type:
Small moleculeAlogP:
3.71Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2333247
Name:
2-(3-fluorobenzyloxy)benzaldehyde O-1-benzylpyrrolidin-3-yl oximeMol. Formula:
C25H25FN2O2M.W.:
404.49Type:
Small moleculeAlogP:
5.03Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2333245
Name:
2-(benzyloxy)benzaldehyde O-1-benzylpyrrolidin-3-yl oximeMol. Formula:
C25H26N2O2M.W.:
386.50Type:
Small moleculeAlogP:
4.89Polar Surface Area:
34.06HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS
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