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ALA4647160 Name:
NA
Mol. Formula:
C16H15ClN2O4S
M.W.:
366.83
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4647135 Name:
2-cyclohexyldodecanoic acid
Mol. Formula:
C18H34O2
M.W.:
282.47
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4647002 Name:
NA
Mol. Formula:
C50H62N4O13
M.W.:
927.06
Type:
Unknown
AlogP:
6.19
Polar Surface Area:
230.66
HBA:
16
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4646072 Name:
2-(2-cyclohexylethyl)nonanoic acid
Mol. Formula:
C17H32O2
M.W.:
268.44
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4645469 Name:
NA
Mol. Formula:
C9H7N5O4S2
M.W.:
313.32
Type:
Unknown
AlogP:
1.71
Polar Surface Area:
126.20
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4644923 Name:
2-(2-cyclohexylethyl)octanoic acid
Mol. Formula:
C16H30O2
M.W.:
254.41
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4643168 Name:
2-cyclopent-2-en-1-yldodecanoic acid
Mol. Formula:
C17H30O2
M.W.:
266.42
Type:
Unknown
AlogP:
5.18
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4642123 Name:
NA
Mol. Formula:
C12H18N4O3S
M.W.:
298.37
Type:
Unknown
AlogP:
0.27
Polar Surface Area:
120.50
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4641870 Name:
2-(2-cyclopentylethyl)decanoic acid
Mol. Formula:
C17H32O2
M.W.:
268.44
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4641801 Name:
2-(2-cyclopentylethyl)nonanoic acid
Mol. Formula:
C16H30O2
M.W.:
254.41
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4639166 Name:
NA
Mol. Formula:
C12H13BrN4O3
M.W.:
341.17
Type:
Unknown
AlogP:
2.21
Polar Surface Area:
105.51
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4638874 Name:
2-cyclopentyldodecanoic acid
Mol. Formula:
C17H32O2
M.W.:
268.44
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4638832 Name:
N,5-bis(4-chlorophenyl)-3-[3-(diethylamino)propylimino]phenazin-2-amine
Mol. Formula:
C31H31Cl2N5
M.W.:
544.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Unknown
AlogP:
7.81
Polar Surface Area:
45.45
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4638657 Name:
2-cyclohexylundecanoic acid
Mol. Formula:
C17H32O2
M.W.:
268.44
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4638319 Name:
NA
Mol. Formula:
C16H16N2O5S
M.W.:
348.38
Type:
Unknown
AlogP:
2.14
Polar Surface Area:
112.57
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4638204 Name:
2-cyclopentyltridecanoic acid
Mol. Formula:
C18H34O2
M.W.:
282.47
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4637808 Name:
NA
Mol. Formula:
C51H64N4O13
M.W.:
941.09
Type:
Unknown
AlogP:
6.58
Polar Surface Area:
230.66
HBA:
16
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4635908 Name:
2-cyclohexyldecanoic acid
Mol. Formula:
C16H30O2
M.W.:
254.41
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4635877 Name:
(2-cyano-4,6-dinitro-phenyl) N,N-dimethylcarbamodithioate
Mol. Formula:
C10H8N4O4S2
M.W.:
312.33
Type:
Unknown
AlogP:
2.31
Polar Surface Area:
113.31
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4635737 Name:
2-cyclopent-2-en-1-ylundecanoic acid
Mol. Formula:
C16H28O2
M.W.:
252.40
Type:
Unknown
AlogP:
4.79
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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