Type:
---AlogP:
2.75Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
-0.86Polar Surface Area:
245.98HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.12DETAILS
ALA3310889Name:
(Z)-N'-((5-bromo-2-hydroxyphenyl)(2-hydroxyphenyl)methylene)acetohydrazideMol. Formula:
C15H13BrN2O3M.W.:
349.18Type:
Small moleculeAlogP:
2.75Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA3310887Name:
2,2'-Bis-hydroxybenzophenone N-benzoylhydrazoneMol. Formula:
C20H16N2O3M.W.:
332.36Type:
Small moleculeAlogP:
3.28Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS-
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3310885
Name:
(2-(benzyloxy)-5-bromophenyl)(2-(benzyloxy)phenyl)methanoneMol. Formula:
C27H21BrO3M.W.:
473.37Type:
Small moleculeAlogP:
6.84Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA3310884
Name:
(Z)-(4-hydroxybiphenyl-3-yl)(2-hydroxyphenyl)methanone oximeMol. Formula:
C19H15NO3M.W.:
305.33Type:
Small moleculeAlogP:
3.99Polar Surface Area:
73.05HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3310883
Name:
(Z)-(5-bromo-2-hydroxyphenyl)(2-hydroxyphenyl)methanone oximeMol. Formula:
C13H10BrNO3M.W.:
308.13Type:
Small moleculeAlogP:
3.09Polar Surface Area:
73.05HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
5.66Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3310666
Name:
N'-(bis(2-hydroxyphenyl)methylene)picolinohydrazideMol. Formula:
C19H15N3O3M.W.:
333.35Type:
Small moleculeAlogP:
2.68Polar Surface Area:
94.81HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.75Polar Surface Area:
51.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2165150
Name:
2-[(1-Methyl-1H-pyrrol-2-ylsulfonyl)methyl]anilineMol. Formula:
C12H14N2O2SM.W.:
250.32Type:
Small moleculeAlogP:
1.58Polar Surface Area:
65.09HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
51.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.08Polar Surface Area:
67.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
4.40Polar Surface Area:
51.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2165146
Name:
1-Methyl-2-[(2-nitrobenzyl)sulfonyl)]-1H-pyrroleMol. Formula:
C12H12N2O4SM.W.:
280.31Type:
Small moleculeAlogP:
1.91Polar Surface Area:
82.21HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
51.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.52Polar Surface Area:
60.66HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.40Polar Surface Area:
51.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS
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