Type:
UnknownAlogP:
1.90Polar Surface Area:
122.50HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
1.84Polar Surface Area:
125.30HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
UnknownAlogP:
1.23Polar Surface Area:
138.19HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
UnknownAlogP:
-0.63Polar Surface Area:
161.39HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
UnknownAlogP:
1.48Polar Surface Area:
126.41HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
UnknownAlogP:
2.76Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4874433
Name:
2,2'-((6-Mesityl-1,3,5-triazine-2,4-diyl)bis(sulfanediyl))diacetic acidMol. Formula:
C16H17N3O4S2M.W.:
379.46Type:
UnknownAlogP:
2.82Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
1.19Polar Surface Area:
125.30HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4874128
Name:
2,2'-((6-Phenyl-1,3,5-triazine-2,4-diyl)bis(azanediyl))diacetamideMol. Formula:
C13H15N7O2M.W.:
301.31Type:
UnknownAlogP:
-0.67Polar Surface Area:
148.91HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4873330
Name:
2,2'-((1,3,5-Triazine-2,4-diyl)bis(sulfanediyl))diacetic acidMol. Formula:
C7H7N3O4S2M.W.:
261.28Type:
UnknownAlogP:
0.22Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
2.38Polar Surface Area:
113.27HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4872618
Name:
3,3'-((6-Phenyl-1,3,5-triazine-2,4-diyl)bis(sulfanediyl))dipropionic acidMol. Formula:
C15H15N3O4S2M.W.:
365.44Type:
UnknownAlogP:
2.67Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4871185
Name:
2,2'-((6-Benzyl-1,3,5-triazine-2,4-diyl)bis(sulfanediyl))diacetic acidMol. Formula:
C14H13N3O4S2M.W.:
351.41Type:
UnknownAlogP:
1.82Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4870869
Name:
1,1'-((6-Phenyl-1,3,5-triazine-2,4-diyl)bis(azanediyl))bis(propan-2-one)Mol. Formula:
C15H17N5O2M.W.:
299.33Type:
UnknownAlogP:
1.54Polar Surface Area:
96.87HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
2.59Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
0.96Polar Surface Area:
63.08HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4869057
Name:
2,2'-(6-morpholino-1,3,5-triazine-2,4-diyl)bis(sulfanediyl)diacetic acidMol. Formula:
C11H14N4O5S2M.W.:
346.39Type:
UnknownAlogP:
0.06Polar Surface Area:
125.74HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4869037
Name:
((6-Phenyl-1,3,5-triazine-2,4-diyl)bis(azanediyl))dimethanesulfonic acidMol. Formula:
C11H13N5O6S2M.W.:
375.39Type:
UnknownAlogP:
0.05Polar Surface Area:
171.47HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4868335
Name:
2,2'-((6-Phenyl-1,3,5-triazine-2,4-diyl)bis(sulfanediyl))diacetic acidMol. Formula:
C13H11N3O4S2M.W.:
337.38Type:
UnknownAlogP:
1.89Polar Surface Area:
113.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
1.73Polar Surface Area:
125.74HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.60DETAILS
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