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ALA5272197 Name:
5-(3-hydroxypropoxy)-2-methyl-7-(naphthalen-2-ylmethoxy)-4H-chromen-4-one
Mol. Formula:
C24H22O5
M.W.:
390.44
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.59
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5281902 Name:
5-((2-(hydroxymethyl)benzyl)oxy)-2-isopropyl-7-(naphthalen-2-ylmethoxy)-4H-Show More⌵
Mol. Formula:
C31H28O5
M.W.:
480.56
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.72
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5284031 Name:
2-((6-Bromo-2-hydroxynaphthalen-1-yl)methyl)-3-(4-bromophenyl)-N-methyl-3-oShow More⌵
Mol. Formula:
C21H17Br2NO3
M.W.:
491.18
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.86
Polar Surface Area:
66.40
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5283778 Name:
6-(5-hydroxypentyl)-1-isobutyl-3-methyl-7-((naphthalen-2-yloxy)methyl)pteriShow More⌵
Mol. Formula:
C27H32N4O4
M.W.:
476.58
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.58
Polar Surface Area:
99.24
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5219900 Name:
(2R)-2-amino-N-[5-[[4-[[5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-4-oShow More⌵
Mol. Formula:
C34H48N8O4S
M.W.:
664.88
Type:
---
AlogP:
3.30
Polar Surface Area:
183.18
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5266330 Name:
5-(3-hydroxypropoxy)-2-isopropyl-7-(naphthalen-2-ylmethoxy)-4H-chromen-4-onShow More⌵
Mol. Formula:
C26H26O5
M.W.:
418.49
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.41
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5220748 Name:
(2R)-2-amino-N-[5-[[4-[[5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-4-oShow More⌵
Mol. Formula:
C34H48N8O4S
M.W.:
664.88
Type:
---
AlogP:
3.30
Polar Surface Area:
183.18
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5218732 Name:
(2R)-2-amino-N-[5-[4-[[5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-4-oxShow More⌵
Mol. Formula:
C35H44N6O4S
M.W.:
644.84
Type:
---
AlogP:
3.45
Polar Surface Area:
158.26
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4790354 Name:
(5-Chloro-2-methoxy-4-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)-amino)benzylShow More⌵
Mol. Formula:
C25H27ClN2O4
M.W.:
454.95
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
90.82
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4783983 Name:
(2-((5-Cyanopyridin-3-yl)methoxy)-4-(((2-methyl-[1,1'-biphenyl]-3-yl)methylShow More⌵
Mol. Formula:
C31H30N4O4
M.W.:
522.61
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
127.50
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4593580 Name:
2-(3-(4-(tert-butyl)benzamido)phenyl)-4-((4-morpholinophenyl)amino)thiazoleShow More⌵
Mol. Formula:
C31H32N4O4S
M.W.:
556.69
Type:
Unknown
AlogP:
6.64
Polar Surface Area:
103.79
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4592938 Name:
Ethyl 4-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2-(3-(5-(trifluoromethyl)Show More⌵
Mol. Formula:
C30H29F3N6O3S
M.W.:
610.66
Type:
Unknown
AlogP:
6.15
Polar Surface Area:
99.69
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4590761 Name:
2-(3-(3-chloro-4-fluorobenzamido)phenyl)-4-((4-(4-methylpiperazin-1-yl)phenShow More⌵
Mol. Formula:
C28H25ClFN5O3S
M.W.:
566.06
Type:
Unknown
AlogP:
6.05
Polar Surface Area:
97.80
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4587485 Name:
2-(3-(4-(tert-butyl)benzamido)phenyl)-4-((4-(morpholine-4-carbonyl)phenyl)aShow More⌵
Mol. Formula:
C32H33N5O4S
M.W.:
583.71
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
126.65
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4585613 Name:
2-(3-(2-fluorobenzamido)phenyl)-4-((4-(4-methylpiperazin-1-yl)phenyl)amino)Show More⌵
Mol. Formula:
C28H26FN5O3S
M.W.:
531.61
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
97.80
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4584007 Name:
Ethyl 2-(3-(furan-2-carboxamido)phenyl)-4-((4-(4-methylpiperazin-1-yl)phenyShow More⌵
Mol. Formula:
C28H29N5O4S
M.W.:
531.64
Type:
Unknown
AlogP:
5.33
Polar Surface Area:
99.94
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4579565 Name:
4-((4-(morpholine-4-carbonyl)phenyl)amino)-2-(3-(4-(trifluoromethyl)benzamiShow More⌵
Mol. Formula:
C29H24F3N5O4S
M.W.:
595.60
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
126.65
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4575423 Name:
2-(3-(3-fluorobenzamido)phenyl)-4-((4-(4-methylpiperazin-1-yl)phenyl)amino)Show More⌵
Mol. Formula:
C28H26FN5O3S
M.W.:
531.61
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
97.80
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4574567 Name:
Ethyl 2-(3-(4-(tert-butyl)benzamido)phenyl)-4-((4-(morpholine-4-carbonyl)phShow More⌵
Mol. Formula:
C34H36N4O5S
M.W.:
612.75
Type:
Unknown
AlogP:
6.75
Polar Surface Area:
109.86
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4570521 Name:
2-(3-(3-fluorobenzamido)phenyl)-4-((4-(4-methylpiperazin-1-yl)phenyl)amino)Show More⌵
Mol. Formula:
C28H27FN6O2S
M.W.:
530.63
Type:
Unknown
AlogP:
4.80
Polar Surface Area:
103.59
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
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