ALA5265916Name:
1-cyclooctyl-3-(3,7-dimethyl-4H-pyrazolo[3,4-e][1,2,4]triazin-4-yl)thioureaMol. Formula:
C15H23N7SM.W.:
333.47Type:
---AlogP:
2.32Polar Surface Area:
80.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS
ALA5281722Name:
1-cyclohexyl-3-(3,7-dimethyl-4H-pyrazolo[3,4-e][1,2,4]triazin-4-yl)thioureaMol. Formula:
C13H19N7SM.W.:
305.41Type:
---AlogP:
1.54Polar Surface Area:
80.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
---AlogP:
2.03Polar Surface Area:
80.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
4.13Polar Surface Area:
142.66HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
UnknownAlogP:
4.53Polar Surface Area:
108.52HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS- 2，4-Dihydro-4-Methyl-5-(4-Pyridinyl)-3H-1，2，4-Triazole-3-Thione
Name:
4-methyl-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thioneMol. Formula:
C8H8N4SM.W.:
192.25Type:
UnknownAlogP:
1.54Polar Surface Area:
46.50HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
1.11Polar Surface Area:
206.42HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
-0.38Polar Surface Area:
153.66HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
6.04Polar Surface Area:
102.86HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
5.98Polar Surface Area:
102.86HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
5.58Polar Surface Area:
102.86HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
UnknownAlogP:
6.12Polar Surface Area:
102.86HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
5.44Polar Surface Area:
102.86HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
3.78Polar Surface Area:
123.09HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
7.29Polar Surface Area:
102.86HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
UnknownAlogP:
5.19Polar Surface Area:
102.86HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
6.00Polar Surface Area:
121.32HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
5.58Polar Surface Area:
116.00HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
4.96Polar Surface Area:
112.09HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
5.38Polar Surface Area:
115.75HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS
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