Type:
UnknownAlogP:
-0.62Polar Surface Area:
197.97HBA:
12HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
-0.80Polar Surface Area:
219.97HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
-0.71Polar Surface Area:
208.97HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
UnknownAlogP:
-0.80Polar Surface Area:
219.97HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
-2.00Polar Surface Area:
231.55HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
UnknownAlogP:
-1.48Polar Surface Area:
203.57HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
UnknownAlogP:
-0.71Polar Surface Area:
208.97HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
UnknownAlogP:
-0.70Polar Surface Area:
203.57HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
2.62Polar Surface Area:
103.99HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA3426852
Name:
12-N-(p-Trifluoromethybenzenesulfonyl)matrinolMol. Formula:
C22H31F3N2O3SM.W.:
460.56Type:
Small moleculeAlogP:
3.73Polar Surface Area:
60.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
84.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
2.71Polar Surface Area:
121.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
77.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
101.71HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
66.92HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3426846
Name:
Methyl 12-N-(m-Nitrobenzenesulfonyl)matrinateMol. Formula:
C22H31N3O6SM.W.:
465.57Type:
Small moleculeAlogP:
2.80Polar Surface Area:
110.06HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3426845
Name:
Methyl 12-N-(o-Nitrobenzenesulfonyl)matrinateMol. Formula:
C22H31N3O6SM.W.:
465.57Type:
Small moleculeAlogP:
2.80Polar Surface Area:
110.06HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
66.92HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3426843
Name:
Methyl 12-N-(m-Cyanobenzenesulfonyl)matrinateMol. Formula:
C23H31N3O4SM.W.:
445.59Type:
Small moleculeAlogP:
2.77Polar Surface Area:
90.71HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
2.40Polar Surface Area:
103.99HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
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