Type:
---AlogP:
3.08Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
---AlogP:
4.03Polar Surface Area:
98.84HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA4245858Name:
N2-benzyl-N4,N4,6-trimethylpyrimidine-2,4-diamineMol. Formula:
C14H18N4M.W.:
242.33Type:
Small moleculeAlogP:
2.46Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
7.81Polar Surface Area:
62.63HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
7.81Polar Surface Area:
62.63HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS-
Type:
Small moleculeAlogP:
6.59Polar Surface Area:
99.29HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
6.59Polar Surface Area:
99.29HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
73.97HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
73.97HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3318310
Name:
(S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl-4-isopropylphenylcarbamateMol. Formula:
C21H22FN3O2M.W.:
367.42Type:
Small moleculeAlogP:
5.14Polar Surface Area:
56.15HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3318309
Name:
(R)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl-4-isopropylphenylcarbamateMol. Formula:
C21H22FN3O2M.W.:
367.42Type:
Small moleculeAlogP:
5.14Polar Surface Area:
56.15HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
4.48Polar Surface Area:
71.09HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
71.09HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
3.08Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA2386133
Name:
2-(morpholin-4-yl)ethyl(2-chloropyridin-4-yl)carbamateMol. Formula:
C12H16ClN3O3M.W.:
285.73Type:
Small moleculeAlogP:
1.62Polar Surface Area:
63.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2386132
Name:
2-(morpholin-4-yl)ethyl(2,6-dichloropyridin-4-yl)carbamateMol. Formula:
C12H15Cl2N3O3M.W.:
320.18Type:
Small moleculeAlogP:
2.27Polar Surface Area:
63.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2386131
Name:
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl(3-bromopyridin-4-yl)carbamateMol. Formula:
C12H12BrN5O4M.W.:
370.16Type:
Small moleculeAlogP:
2.51Polar Surface Area:
112.18HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA2326053
Name:
1-(3-(4-Chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazoleMol. Formula:
C18H17ClN2OM.W.:
312.80Type:
Small moleculeAlogP:
4.99Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
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