ALA5279874Name:
3-methyl-5-(methylthio)-7,7a-dihydro-1H-pyrazolo[4,3-e][1,2,4]triazineMol. Formula:
C6H9N5SM.W.:
183.24Type:
---AlogP:
-0.03Polar Surface Area:
61.14HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
UnknownAlogP:
-0.57Polar Surface Area:
137.25HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
-1.70Polar Surface Area:
134.26HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA3746991Name:
2-Amino-3H,5H-7-(4-fluorbenzoyl)pyrrolo[3,2-d]pyrimidin-4-oneMol. Formula:
C13H9FN4O2M.W.:
272.24Type:
Small moleculeAlogP:
1.20Polar Surface Area:
104.63HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA3746497Name:
2-Amino-3H,5H-7-benzoylpyrrolo[3,2-d]pyrimidin-4-oneMol. Formula:
C13H10N4O2M.W.:
254.25Type:
Small moleculeAlogP:
1.06Polar Surface Area:
104.63HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS- ALA3745743
Name:
2-Amino-3H,5H-7-(4-iodobenzoyl)pyrrolo[3,2-d]pyrimidin-4-oneMol. Formula:
C13H9IN4O2M.W.:
380.14Type:
Small moleculeAlogP:
1.67Polar Surface Area:
104.63HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3746768
Name:
2-Amino-3H,5H-7-(4-bromobenzoyl)pyrrolo[3,2-d]pyrimidin-4-oneMol. Formula:
C13H9BrN4O2M.W.:
333.14Type:
Small moleculeAlogP:
1.83Polar Surface Area:
104.63HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3746019
Name:
2-Amino-3H,5H-7-(4-chlorobenzoyl)pyrrolo[3,2-d]pyrimidin-4-oneMol. Formula:
C13H9ClN4O2M.W.:
288.69Type:
Small moleculeAlogP:
1.72Polar Surface Area:
104.63HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
-0.57Polar Surface Area:
114.03HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-0.57Polar Surface Area:
114.03HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-0.33Polar Surface Area:
114.03HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.33Polar Surface Area:
114.03HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.57Polar Surface Area:
114.03HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-0.16Polar Surface Area:
114.29HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
-0.57Polar Surface Area:
114.03HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-1.24Polar Surface Area:
113.26HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
-1.17Polar Surface Area:
87.04HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
-0.83Polar Surface Area:
87.04HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-2.68Polar Surface Area:
148.65HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
-3.00Polar Surface Area:
148.17HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS
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