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ALA5282728 Name:
6-chloro-5-((3-chloro-2-cyclopropylphenoxy)methyl)-2-phenyl-[1,2,4]triazoloShow More⌵
Mol. Formula:
C21H16Cl2N4O2
M.W.:
427.29
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.85
Polar Surface Area:
72.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5282255 Name:
5-(((2-chloro-6-methoxyphenyl)amino)methyl)-2-phenyl-[1,2,4]triazolo[1,5-a]Show More⌵
Mol. Formula:
C19H16ClN5O2
M.W.:
381.82
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.36
Polar Surface Area:
84.31
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4295043 Name:
1-(Biphenyl-3-yl) alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-carboxyShow More⌵
Mol. Formula:
C30H24O4
M.W.:
448.52
Type:
Small molecule
AlogP:
6.16
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4294220 Name:
(1R,2S)-2-phenylcyclohexyl alpha-3-hydroxycarbonyl-2,4-di(2,6-dichlorophenyShow More⌵
Mol. Formula:
C30H26Cl4O4
M.W.:
592.35
Type:
Small molecule
AlogP:
8.77
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4293939 Name:
1-(2,4,5-Tricholrobenzyl) alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1Show More⌵
Mol. Formula:
C24H17Cl3O4
M.W.:
475.75
Type:
Small molecule
AlogP:
6.45
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4293553 Name:
1-(4-Bromobenzyl) alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-carboxyShow More⌵
Mol. Formula:
C25H21BrO4
M.W.:
465.34
Type:
Small molecule
AlogP:
5.39
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4293382 Name:
(1S,2S,3S,4S)-3-((5-ethynylnaphthalen-1-yloxy)carbonyl)-2,4-diphenylcyclobuShow More⌵
Mol. Formula:
C30H22O4
M.W.:
446.50
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4293131 Name:
1-Benzyl alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
Mol. Formula:
C25H22O4
M.W.:
386.45
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4292332 Name:
1-(2,2,2-Trifluoroethyl) alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-Show More⌵
Mol. Formula:
C20H17F3O4
M.W.:
378.35
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4292323 Name:
9-Fluorenylmethyl alpha-3-hydroxycarbonyl-2,4-di(2-chlorophenyl)cyclobutaneShow More⌵
Mol. Formula:
C32H24Cl2O4
M.W.:
543.45
Type:
Small molecule
AlogP:
7.55
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4292233 Name:
1,3-di(biphenyl-3-yl) alpha-2,4-diphenylcyclobutane-1,3-dicarboxylate
Mol. Formula:
C42H32O4
M.W.:
600.71
Type:
Small molecule
AlogP:
9.35
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
Type:
Small molecule
AlogP:
5.64
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4291905 Name:
(1R,2S)-2-phenylcyclohexyl alpha-3-hydroxycarbonyl-2,4-di(2-chlorophenyl)-cShow More⌵
Mol. Formula:
C30H28Cl2O4
M.W.:
523.46
Type:
Small molecule
AlogP:
7.46
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4291624 Name:
1-(3-ethynylphenyl) alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-carboShow More⌵
Mol. Formula:
C26H20O4
M.W.:
396.44
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4290821 Name:
(1R,2S)-2-phenylcyclohexyl alpha-3-hydroxycarbonyl-2,4-di(2-nitrophenyl)-cyShow More⌵
Mol. Formula:
C30H28N2O8
M.W.:
544.56
Type:
Small molecule
AlogP:
5.97
Polar Surface Area:
149.88
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4290535 Name:
1-(Biphenyl-4-yl) alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-carboxyShow More⌵
Mol. Formula:
C30H24O4
M.W.:
448.52
Type:
Small molecule
AlogP:
6.16
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4290002 Name:
1-Cyclohexyl alpha-3-hydroxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
Mol. Formula:
C24H26O4
M.W.:
378.47
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4289745 Name:
(1R,2R,3R,4R)-3-((naphthalen-1-yloxy)carbonyl)-2,4-diphenylcyclobutanecarboShow More⌵
Mol. Formula:
C28H22O4
M.W.:
422.48
Type:
Small molecule
AlogP:
5.64
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4288922 Name:
1-(6-Acetamidonaphth-1-yl) gamma-3-hydroxycarbonyl-2,4-diphenylcyclobutane-Show More⌵
Mol. Formula:
C30H25NO5
M.W.:
479.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
92.70
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4288826 Name:
Di(4-fluorobenzyl) alpha-2,4-diphenylcyclobutane-1,3-dicarboxylate
Mol. Formula:
C32H26F2O4
M.W.:
512.55
Type:
Small molecule
AlogP:
6.57
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
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