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ALA5278745 Name:
Varioxepine A
Mol. Formula:
C26H29N3O5
M.W.:
463.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.98
Polar Surface Area:
81.62
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5287649 Name:
5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Mol. Formula:
C8H6N4
M.W.:
158.16
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
0.91
Polar Surface Area:
53.98
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5183491 Name:
Emerone B
Mol. Formula:
C22H30O7
M.W.:
406.48
Type:
---
AlogP:
2.04
Polar Surface Area:
106.20
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4796079 Name:
Clifednamide J
Mol. Formula:
C29H36N2O6
M.W.:
508.62
Type:
Unknown
AlogP:
2.04
Polar Surface Area:
135.96
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4794656 Name:
Clifednamide I
Mol. Formula:
C29H36N2O6
M.W.:
508.62
Type:
Unknown
AlogP:
3.54
Polar Surface Area:
146.79
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4791755 Name:
Clifednamide A
Mol. Formula:
C29H36N2O5
M.W.:
492.62
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
112.57
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4779599 Name:
Clifednamide F
Mol. Formula:
C29H34N2O5
M.W.:
490.60
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
112.57
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4753905 Name:
Clifednamide G
Mol. Formula:
C29H34N2O6
M.W.:
506.60
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
132.80
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4751548 Name:
Clifednamide D
Mol. Formula:
C29H36N2O7
M.W.:
524.61
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
163.86
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4750141 Name:
Clifednamide B
Mol. Formula:
C29H36N2O6
M.W.:
508.62
Type:
Unknown
AlogP:
2.17
Polar Surface Area:
132.80
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4747446 Name:
Clifednamide E
Mol. Formula:
C29H36N2O7
M.W.:
524.61
Type:
Unknown
AlogP:
1.14
Polar Surface Area:
153.03
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4744807 Name:
Clifednamide H
Mol. Formula:
C29H34N2O7
M.W.:
522.60
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
163.86
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4291592 Name:
(2S,3R,4S,5S,6R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,4R,5R,6R)-3-aminShow More⌵
Mol. Formula:
C26H52N4O11
M.W.:
596.72
Type:
Small molecule
AlogP:
-3.91
Polar Surface Area:
271.61
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4283734 Name:
(2S,3R,4S,5S,6R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,4R,5S,6R)-3-aminShow More⌵
Mol. Formula:
C26H52N4O11
M.W.:
596.72
Type:
Small molecule
AlogP:
-3.91
Polar Surface Area:
271.61
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4276736 Name:
(2S,3R,4S,5S,6R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,4R,5S,6R)-3-aminShow More⌵
Mol. Formula:
C26H52N4O11
M.W.:
596.72
Type:
Small molecule
AlogP:
-3.91
Polar Surface Area:
271.61
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3589944 Name:
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2S,3S,4R,6S)-4,6-diamino-3-Show More⌵
Mol. Formula:
C30H61N5O9
M.W.:
635.84
Type:
Small molecule
AlogP:
-1.35
Polar Surface Area:
257.17
HBA:
14
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA3589943 Name:
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2S,3S,4R,6S)-4,6-diamino-3-Show More⌵
Mol. Formula:
C22H45N5O9
M.W.:
523.63
Type:
Small molecule
AlogP:
-4.47
Polar Surface Area:
257.17
HBA:
14
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3588979 Name:
6''-O-octanesulfonylkanamycin A
Mol. Formula:
C27H55N5O12S
M.W.:
673.83
Type:
Small molecule
AlogP:
-4.22
Polar Surface Area:
311.54
HBA:
17
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA3588978 Name:
2-((2R,3S,4S,5R,6R)-4-amino-6-((1S,2R,3R,4S,6R)-4,6-diamino-3-((2R,3R,4S,5SShow More⌵
Mol. Formula:
C26H44N4O13S
M.W.:
652.72
Type:
Small molecule
AlogP:
-5.18
Polar Surface Area:
305.75
HBA:
17
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3588977 Name:
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2S,3S,4R,6S)-4,6-diamino-3-Show More⌵
Mol. Formula:
C27H55N5O9S
M.W.:
625.83
Type:
Small molecule
AlogP:
-2.83
Polar Surface Area:
268.17
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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