ALA5270819Name:
2,4,5-trimethyl-N-(5-(phenylamino)-1H-1,2,4-triazol-3-yl)benzenesulfonamideMol. Formula:
C17H19N5O2SM.W.:
357.44Type:
---AlogP:
3.27Polar Surface Area:
99.77HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
3.74Polar Surface Area:
137.07HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
---AlogP:
6.21Polar Surface Area:
168.08HBA:
9HBD:
4#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
---AlogP:
3.28Polar Surface Area:
109.00HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
---AlogP:
4.43Polar Surface Area:
99.77HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS- ALA5285878
Name:
4,6,7-trihydroxy-3-[(2-oxo-2H-chromen-7-yl)methyl]-2H-chromen-2-oneMol. Formula:
C19H12O7M.W.:
352.30Type:
---AlogP:
2.61Polar Surface Area:
121.11HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA5284427
Name:
4,7-dihydroxy-6-methoxy-3-[(2-oxo-2H-chromen-7-yl)methyl]-2H-chromen-2-oneMol. Formula:
C20H14O7M.W.:
366.33Type:
---AlogP:
2.91Polar Surface Area:
110.11HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
3.58Polar Surface Area:
99.77HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
---AlogP:
12.27Polar Surface Area:
139.84HBA:
8HBD:
6#RO5 Violations:
3#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA5287344
Name:
7-hydroxy-3-[(2-oxo-2H-chromen-7-yl)methyl]-2H-chromen-2-oneMol. Formula:
C19H12O5M.W.:
320.30Type:
---AlogP:
3.20Polar Surface Area:
80.65HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
9.97Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
2.89Polar Surface Area:
94.22HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
0.06Polar Surface Area:
111.08HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
97.59HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
88.07HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.93Polar Surface Area:
52.30HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
1.74Polar Surface Area:
68.51HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
1.31Polar Surface Area:
66.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.48Polar Surface Area:
44.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
1.63Polar Surface Area:
24.83HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS
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