Type:
UnknownAlogP:
2.34Polar Surface Area:
166.64HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
-3.46Polar Surface Area:
207.63HBA:
12HBD:
8#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
3.33Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
-1.82Polar Surface Area:
177.14HBA:
10HBD:
7#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
3.20Polar Surface Area:
43.84HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS- ALA2270739
Name:
1-(3-fluorobenzyl)-5,6-dimethyl-1H-benzo[d]imidazoleMol. Formula:
C16H15FN2M.W.:
254.31Type:
Small moleculeAlogP:
3.84Polar Surface Area:
17.82HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
5.61Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.99Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
4.99Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA2270472
Name:
(E)-1-hexyl-N-((5-nitrofuran-2-yl)methylene)-1H-benzo[d]imidazol-2-amineMol. Formula:
C18H20N4O3M.W.:
340.38Type:
Small moleculeAlogP:
4.87Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA2270471
Name:
(E)-1-butyl-N-((5-nitrofuran-2-yl)methylene)-1H-benzo[d]imidazol-2-amineMol. Formula:
C16H16N4O3M.W.:
312.33Type:
Small moleculeAlogP:
4.09Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2270470
Name:
(E)-1-ethyl-N-((5-nitrofuran-2-yl)methylene)-1H-benzo[d]imidazol-2-amineMol. Formula:
C14H12N4O3M.W.:
284.28Type:
Small moleculeAlogP:
3.31Polar Surface Area:
86.46HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
43.84HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.81DETAILS - ALA456156
Name:
2-(Phenyl)-4-(3'-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepineMol. Formula:
C21H17NOSM.W.:
331.44Type:
Small moleculeAlogP:
5.75Polar Surface Area:
32.59HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA456332
Name:
3-(4-(dimethylamino)phenyl)-1-(3-(3-hydroxyphenoxy)phenyl)prop-2-en-1-oneMol. Formula:
C23H21NO3M.W.:
359.43Type:
Small moleculeAlogP:
5.15Polar Surface Area:
49.77HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA456123
Name:
3-(3,4-dimethoxyphenyl)-1-(3-(3-hydroxyphenoxy)phenyl)prop-2-en-1-oneMol. Formula:
C23H20O5M.W.:
376.41Type:
Small moleculeAlogP:
5.10Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA456122
Name:
1-(3-(3-hydroxyphenoxy)phenyl)-3-(2-methoxyphenyl)prop-2-en-1-oneMol. Formula:
C22H18O4M.W.:
346.38Type:
Small moleculeAlogP:
5.09Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA498300
Name:
1-(3-(3-hydroxyphenoxy)phenyl)-3-(3-hydroxyphenyl)prop-2-en-1-oneMol. Formula:
C21H16O4M.W.:
332.36Type:
Small moleculeAlogP:
4.79Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA526288
Name:
3-(4-fluorophenyl)-1-(3-(3-hydroxyphenoxy)phenyl)prop-2-en-1-oneMol. Formula:
C21H15FO3M.W.:
334.35Type:
Small moleculeAlogP:
5.22Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
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