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ALA5270589 Name:
(7S,10S,13S,16S,27R)-7-amino-16-carboxy-27-(4-(((2,4-diaminopteridin-6-yl)mShow More⌵
Mol. Formula:
C48H71N17O16
M.W.:
1142.20
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5269994 Name:
ethyl (1'S,2'R,3S,7a'R)-5''-(4-methoxybenzylidene)-1'-(4-methoxyphenyl)-2,4Show More⌵
Mol. Formula:
C36H37N3O6
M.W.:
607.71
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.22
Polar Surface Area:
97.41
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5282590 Name:
ethyl (1'R,2'R,3S,7a'R)-5''-(2,4-difluorobenzylidene)-1'-(2,4-difluorophenyShow More⌵
Mol. Formula:
C34H29F4N3O4
M.W.:
619.62
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.76
Polar Surface Area:
78.95
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5277862 Name:
4-amino-5-(4-chlorophenyl)-7-(2-oxo-2H-chromen-3-yl)-1H-pyrano[2,3-d]pyrimiShow More⌵
Mol. Formula:
C22H14ClN3O4
M.W.:
419.82
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.68
Polar Surface Area:
111.21
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5275782 Name:
ethyl (3S,3'R,4'S)-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1'-methyl-Show More⌵
Mol. Formula:
C32H29Cl2N3O4
M.W.:
590.51
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.98
Polar Surface Area:
78.95
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5284628 Name:
ethyl (1'S,2'R,3S,7a'R)-5''-(4-nitrobenzylidene)-1'-(4-nitrophenyl)-2,4''-dShow More⌵
Mol. Formula:
C34H31N5O8
M.W.:
637.65
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.02
Polar Surface Area:
165.23
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5284175 Name:
(1'R,2'R,3S)-2''-thioxo-2'-(p-tolyl)-5',6',7',7a'-tetrahydro-2'H-dispiro[inShow More⌵
Mol. Formula:
C23H21N3O2S2
M.W.:
435.57
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.29
Polar Surface Area:
61.44
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5282945 Name:
5-(4-chlorophenyl)-2-methyl-7-(2-oxo-2H-chromen-3-yl)-3H-pyrano[2,3-d]pyrimShow More⌵
Mol. Formula:
C23H15ClN2O4
M.W.:
418.84
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.40
Polar Surface Area:
85.19
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5289650 Name:
(1'R,2'R,3S)-2'-phenyl-2''-thioxo-5',6',7',7a'-tetrahydro-2'H-dispiro[indolShow More⌵
Mol. Formula:
C22H19N3O2S2
M.W.:
421.55
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.98
Polar Surface Area:
61.44
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5206973 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(6-(3"-cShow More⌵
Mol. Formula:
C50H69N3O13
M.W.:
920.11
Type:
---
AlogP:
5.76
Polar Surface Area:
200.44
HBA:
14
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5205928 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(3-(4-(3Show More⌵
Mol. Formula:
C51H74FN5O13
M.W.:
984.17
Type:
---
AlogP:
4.89
Polar Surface Area:
206.92
HBA:
16
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5201358 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(8-(3"-cShow More⌵
Mol. Formula:
C52H73N3O13
M.W.:
948.16
Type:
---
AlogP:
6.54
Polar Surface Area:
200.44
HBA:
14
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5201293 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More⌵
Mol. Formula:
C48H65N3O13
M.W.:
892.06
Type:
---
AlogP:
4.98
Polar Surface Area:
200.44
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5199201 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More⌵
Mol. Formula:
C48H69N3O13
M.W.:
896.09
Type:
---
AlogP:
5.56
Polar Surface Area:
200.44
HBA:
14
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5198989 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More⌵
Mol. Formula:
C48H66N4O12
M.W.:
891.07
Type:
---
AlogP:
4.38
Polar Surface Area:
206.23
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5197797 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(5-(3"-cShow More⌵
Mol. Formula:
C49H68N4O12
M.W.:
905.10
Type:
---
AlogP:
4.77
Polar Surface Area:
206.23
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5197221 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(5-(3"-cShow More⌵
Mol. Formula:
C49H67N3O13
M.W.:
906.08
Type:
---
AlogP:
5.37
Polar Surface Area:
200.44
HBA:
14
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5197059 Name:
3-O-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(4-(3"-cShow More⌵
Mol. Formula:
C48H65N3O13
M.W.:
892.06
Type:
---
AlogP:
4.98
Polar Surface Area:
200.44
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5196658 Name:
3-O-descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl(3-(4-(3Show More⌵
Mol. Formula:
C51H75FN6O12
M.W.:
983.19
Type:
---
AlogP:
4.29
Polar Surface Area:
212.71
HBA:
16
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5196429 Name:
7-(4-amino-3,3-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxShow More⌵
Mol. Formula:
C21H27ClFN3O3
M.W.:
423.92
Type:
---
AlogP:
3.05
Polar Surface Area:
88.56
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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