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ALA5271207 Name:
N-((S)-1-(((2R,3S)-2-(aminomethyl)-6-((2-methoxyethoxy)methoxy)-2,3-dihydroShow More⌵
Mol. Formula:
C36H38BrN3O6
M.W.:
688.62
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.28
Polar Surface Area:
112.35
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5282360 Name:
5-phenyl-2-(4-phenyl-4,5-dihydrothiazol-2-yl)-4-(2-(thiazol-2-yl)hydrazineyShow More⌵
Mol. Formula:
C21H16N6OS2
M.W.:
432.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.00
Polar Surface Area:
82.31
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5278460 Name:
N-((S)-1-((((2R,3S)-3-amino-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuShow More⌵
Mol. Formula:
C36H38BrN3O6
M.W.:
688.62
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.28
Polar Surface Area:
112.35
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5289201 Name:
1-(3,6-dibromo-2-nitro-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol
Mol. Formula:
C19H20Br2N4O3
M.W.:
512.20
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.49
Polar Surface Area:
83.57
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5266955 Name:
4-(2-(2-ethoxyphenyl)hydrazineylidene)-5-methyl-2-(4-phenyl-4,5-dihydrothiaShow More⌵
Mol. Formula:
C21H21N5O2S
M.W.:
407.50
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.92
Polar Surface Area:
78.65
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4868313 Name:
2-[(2-nitrofluoren-9-ylidene)methyl]phenol
Mol. Formula:
C20H13NO3
M.W.:
315.33
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
63.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4783072 Name:
4-(2-(2-ethoxyphenyl)hydrazono)-3-methyl-1-(5-phenylthiazol-2-yl)-1H-pyrazoShow More⌵
Mol. Formula:
C21H19N5O2S
M.W.:
405.48
Type:
Unknown
AlogP:
4.40
Polar Surface Area:
79.18
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3417410 Name:
4-Benzylidene-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-one
Mol. Formula:
C20H15N3OS
M.W.:
345.43
Type:
Small molecule
AlogP:
4.62
Polar Surface Area:
45.56
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3417409 Name:
2-(4'-(Dimethylamino)-5-hydroxy-[1,1'-biphenyl]-3-yl)-5-methyl-4-(2-(naphthShow More⌵
Mol. Formula:
C28H25N5O2
M.W.:
463.54
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
80.53
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3417408 Name:
1-(4'-(Dimethylamino)-[1,1'-biphenyl]-3-yl)-4-(2-(2-ethoxyphenyl)hydrazono)Show More⌵
Mol. Formula:
C26H27N5O2
M.W.:
441.54
Type:
Small molecule
AlogP:
5.01
Polar Surface Area:
69.53
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3417407 Name:
4-(2-(2-Ethoxyphenyl)hydrazono)-1-(5-hydroxy-4'-isopropyl-[1,1'-biphenyl]-3Show More⌵
Mol. Formula:
C27H28N4O3
M.W.:
456.55
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
86.52
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3417406 Name:
2-(3'-Amino-5-hydroxy-[1,1'-biphenyl]-3-yl)-4-(2-(2-ethoxyphenyl)hydrazono)Show More⌵
Mol. Formula:
C24H23N5O3
M.W.:
429.48
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
112.54
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3417405 Name:
4-(2-(2-Ethoxyphenyl)hydrazono)-1-(3-hydroxy-5-(thiophen-2-yl)phenyl)-3-metShow More⌵
Mol. Formula:
C22H20N4O3S
M.W.:
420.49
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
86.52
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3417404 Name:
4-(2-(2-Ethoxyphenyl)hydrazono)-1-(3-hydroxy-5-(pyridin-4-yl)-phenyl)-3-metShow More⌵
Mol. Formula:
C23H21N5O3
M.W.:
415.45
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
99.41
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3417403 Name:
4-(2-(2-Ethoxyphenyl)-hydrazono)-1-(5-hydroxy-[1,1'-biphenyl]-3-yl)-3-methyShow More⌵
Mol. Formula:
C24H22N4O3
M.W.:
414.47
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
86.52
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3417402 Name:
1-(4'-(Dimethylamino)-5-hydroxy-[1,1'-biphenyl]-3-yl)-4-(2-(2-ethoxyphenyl)Show More⌵
Mol. Formula:
C26H27N5O3
M.W.:
457.53
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
89.76
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3417401 Name:
1-(2-Ethoxyphenyl)-2-(3-methyl-5-oxo-1-(4-phenylthiazol-2-yl)-4,5-dihydro-1Show More⌵
Mol. Formula:
C23H19N3O4S
M.W.:
433.49
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
88.93
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3417400 Name:
4-(2-(2-Ethoxyphenyl)acetyl)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5Show More⌵
Mol. Formula:
C23H21N3O3S
M.W.:
419.51
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
71.86
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3417399 Name:
4-((1H-Imidazol-2-yl)methylene)-3-methyl-1(4-phenylthiazol-2-yl)-1H-pyrazolShow More⌵
Mol. Formula:
C17H13N5OS
M.W.:
335.39
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
74.24
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3417398 Name:
3-Methyl-4-(naphthalen-2-ylmethylene)-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5Show More⌵
Mol. Formula:
C24H17N3OS
M.W.:
395.49
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
45.56
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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