Type:
---AlogP:
2.60Polar Surface Area:
83.76HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
4.60Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA5194331Name:
N-cyclohexyl-2-nitroanilineCas Number:
6373-71-3Mol. Formula:
C12H16N2O2M.W.:
220.27Type:
---AlogP:
3.34Polar Surface Area:
55.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
---AlogP:
4.21Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
---AlogP:
4.69Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS-
Type:
---AlogP:
4.06Polar Surface Area:
102.45HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5184350
Name:
N-cyclohexyl-4-(methylsulfonyl)-2-nitroanilineMol. Formula:
C13H18N2O4SM.W.:
298.36Type:
---AlogP:
2.74Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
5.29Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
4.44Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
---AlogP:
3.63Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
4.60Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
---AlogP:
3.87Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5170849
Name:
N-cyclohexyl-4-(ethylsulfonyl)-2-nitroanilineMol. Formula:
C14H20N2O4SM.W.:
312.39Type:
---AlogP:
3.13Polar Surface Area:
89.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
6.97Polar Surface Area:
16.96HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
6.51Polar Surface Area:
39.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
6.98Polar Surface Area:
26.19HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
45.67HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.37Polar Surface Area:
39.08HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
45.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
45.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS
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