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ALA4649759 Name:
Sekikaic acid
Mol. Formula:
C22H26O8
M.W.:
418.44
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
122.52
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4649449 Name:
Viriditoxin
Mol. Formula:
C34H30O14
M.W.:
662.60
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
204.58
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4649296 Name:
(-)-Ageloxime D
Mol. Formula:
C26H40N5O+
M.W.:
438.64
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Unknown
AlogP:
5.58
Polar Surface Area:
66.85
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4649251 Name:
2-Hydroxy-4-methoxy-phenyl-acetonitrile
Mol. Formula:
C9H9NO2
M.W.:
163.18
Type:
Unknown
AlogP:
1.47
Polar Surface Area:
53.25
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
ALA4649152 Name:
Stemphyperylenol
Mol. Formula:
C20H16O6
M.W.:
352.34
Type:
Unknown
AlogP:
1.57
Polar Surface Area:
115.06
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4646753 Name:
Fusarielin J
Mol. Formula:
C33H46O6
M.W.:
538.73
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
99.52
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4646330 Name:
Aranorosin
Mol. Formula:
C23H33NO6
M.W.:
419.52
Type:
Unknown
AlogP:
2.18
Polar Surface Area:
100.69
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4644766 Name:
Kahalalide F
Mol. Formula:
C75H124N14O16
M.W.:
1477.90
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4644696 Name:
Feralolide
Mol. Formula:
C18H16O7
M.W.:
344.32
Type:
Unknown
AlogP:
2.04
Polar Surface Area:
124.29
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4643669 Name:
3-Methoxybutyl gallate
Mol. Formula:
C12H16O6
M.W.:
256.25
Type:
Unknown
AlogP:
1.39
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4642808 Name:
5-epi-Nakijiquinone C
Mol. Formula:
C24H33NO6
M.W.:
431.53
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
123.93
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4641448 Name:
18-Dehydroxy-cytochalasin H
Mol. Formula:
C30H39NO4
M.W.:
477.65
Type:
Unknown
AlogP:
4.62
Polar Surface Area:
75.63
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4640358 Name:
Enniatin A1
Mol. Formula:
C35H61N3O9
M.W.:
667.88
Type:
Unknown
AlogP:
3.93
Polar Surface Area:
139.83
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4640246 Name:
Bionectriamide A
Mol. Formula:
C42H55N5O10
M.W.:
789.93
Type:
Unknown
AlogP:
2.51
Polar Surface Area:
191.96
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4639844 Name:
Callyaerin F
Mol. Formula:
C58H83N11O10
M.W.:
1094.37
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4637771 Name:
Corynesidone C
Mol. Formula:
C15H12O6
M.W.:
288.25
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4637482 Name:
Beauvericin J
Mol. Formula:
C45H57N3O10
M.W.:
799.96
Type:
Unknown
AlogP:
4.62
Polar Surface Area:
160.06
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4636715 Name:
Homosekikaic acid
Mol. Formula:
C24H30O8
M.W.:
446.50
Type:
Unknown
AlogP:
4.72
Polar Surface Area:
122.52
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4636594 Name:
5-epi-Nakijiquinone Q
Mol. Formula:
C29H37NO3
M.W.:
447.62
Type:
Unknown
AlogP:
5.86
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4635023 Name:
(E)-Methyl-3-(4-methoxyphenoxy)propenoate
Mol. Formula:
C11H12O4
M.W.:
208.21
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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