Type:
UnknownAlogP:
3.06Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
UnknownAlogP:
3.05Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
UnknownAlogP:
2.96Polar Surface Area:
78.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
2.96Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
UnknownAlogP:
2.67Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS-
Type:
UnknownAlogP:
3.00Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4639355
Name:
Methyl 3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzoateMol. Formula:
C17H15N3O3M.W.:
309.32Type:
UnknownAlogP:
2.63Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
3.05Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.05Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.77Polar Surface Area:
26.30HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
2.96Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
2.87Polar Surface Area:
89.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4637819
Name:
3-(4-(Phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzoic acidMol. Formula:
C16H13N3O3M.W.:
295.30Type:
UnknownAlogP:
2.54Polar Surface Area:
77.24HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
3.68Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4635078
Name:
Methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)benzoateMol. Formula:
C16H13N3O2M.W.:
279.30Type:
UnknownAlogP:
2.72Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
2.45Polar Surface Area:
63.69HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.06Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4526073
Name:
4-(3-acetyl-1-benzyl-2-methyl-1H-indol-5-yloxy)butanoic acidMol. Formula:
C22H23NO4M.W.:
365.43Type:
UnknownAlogP:
4.44Polar Surface Area:
68.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA1162949
Name:
5-phenyl-6-((1S,2R)-1,2,3-trihydroxypropyl)pyrimidine-2,4-diamineMol. Formula:
C13H16N4O3M.W.:
276.30Type:
Small moleculeAlogP:
-0.31Polar Surface Area:
138.51HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.51Polar Surface Area:
51.80HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS
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