Type:
UnknownAlogP:
5.37Polar Surface Area:
101.64HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA4566079Name:
N2-(4-(4-chlorophenyl)thiazol-2-yl)-N4-phenyl-1,3,5-triazine-2,4,6-triamineMol. Formula:
C18H14ClN7SM.W.:
395.88Type:
UnknownAlogP:
4.72Polar Surface Area:
101.64HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
UnknownAlogP:
5.13Polar Surface Area:
89.61HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
UnknownAlogP:
5.78Polar Surface Area:
89.61HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
Small moleculeAlogP:
1.45Polar Surface Area:
238.89HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS-
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
244.68HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
0.60Polar Surface Area:
182.55HBA:
11HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
222.57HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
0.27Polar Surface Area:
222.57HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
0.84Polar Surface Area:
200.57HBA:
12HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
0.45Polar Surface Area:
200.57HBA:
12HBD:
4#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
-1.62Polar Surface Area:
151.08HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA366851
Name:
4-[2-(2,4-Diamino-pteridin-6-yl)-ethylsulfanyl]-benzoic acid methyl esterMol. Formula:
C16H16N6O2SM.W.:
356.41Type:
Small moleculeAlogP:
1.71Polar Surface Area:
129.90HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA170135
Name:
4-[2-(2,4-Diamino-pteridin-6-yl)-ethylsulfanyl]-benzoic acidMol. Formula:
C15H14N6O2SM.W.:
342.38Type:
Small moleculeAlogP:
1.62Polar Surface Area:
140.90HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA293263
Name:
2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acidMol. Formula:
C20H21N7O5M.W.:
439.43Type:
Small moleculeAlogP:
0.42Polar Surface Area:
207.30HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA296373
Name:
2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acidMol. Formula:
C22H25N7O5M.W.:
467.49Type:
Small moleculeAlogP:
1.37Polar Surface Area:
207.30HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
-1.11Polar Surface Area:
192.77HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
-1.31Polar Surface Area:
192.77HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
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