Type:
UnknownAlogP:
7.46Polar Surface Area:
125.43HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
UnknownAlogP:
5.23Polar Surface Area:
170.06HBA:
14HBD:
3#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
UnknownAlogP:
4.43Polar Surface Area:
106.34HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4542660Name:
Methyl gambogate methyl etherCas Number:
2752-66-1Mol. Formula:
C40H48O8M.W.:
656.82Type:
UnknownAlogP:
7.63Polar Surface Area:
97.36HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
UnknownAlogP:
0.72Polar Surface Area:
135.29HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS-
Type:
UnknownAlogP:
5.89Polar Surface Area:
159.06HBA:
14HBD:
2#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
7.03Polar Surface Area:
122.52HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
3.39Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.99Polar Surface Area:
89.27HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
1.51Polar Surface Area:
160.78HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
5.32Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4295129
Name:
3-bromo-N-(3-chlorophenyl)-2-methoxybenzamideMol. Formula:
C14H11BrClNO2M.W.:
340.60Type:
Small moleculeAlogP:
4.36Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4294873
Name:
5-Bromo-2-hydroxy-N-phenylbenzamideCas Number:
4294-89-7Mol. Formula:
C13H10BrNO2M.W.:
292.13Type:
Small moleculeAlogP:
3.41Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
6.82Polar Surface Area:
62.22HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
7.12Polar Surface Area:
41.99HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4293036
Name:
3-Bromo-N-(3-chlorophenyl)-2-hydroxybenzamideMol. Formula:
C13H9BrClNO2M.W.:
326.58Type:
Small moleculeAlogP:
4.06Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
Small moleculeAlogP:
6.36Polar Surface Area:
51.22HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4292443
Name:
N-(3-Chlorophenyl)-2-methoxybenzamideCas Number:
54979-76-9Mol. Formula:
C14H12ClNO2M.W.:
261.71Type:
Small moleculeAlogP:
3.60Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4292251
Name:
3-Bromo-N-phenylbenzamideCas Number:
63710-33-8Mol. Formula:
C13H10BrNOM.W.:
276.13Type:
Small moleculeAlogP:
3.70Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS
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