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ALA4795575 Name:
NA
Mol. Formula:
C29H31N3O4
M.W.:
485.58
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
87.72
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4793039 Name:
NA
Mol. Formula:
C28H36N6O5
M.W.:
536.63
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
153.60
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4780505 Name:
NA
Mol. Formula:
C29H32BrN3O4
M.W.:
566.50
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
98.58
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4758081 Name:
NA
Mol. Formula:
C37H42N2O6
M.W.:
610.75
Type:
Unknown
AlogP:
5.37
Polar Surface Area:
77.54
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4757200 Name:
NA
Mol. Formula:
C29H31N3O4
M.W.:
485.58
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
87.72
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4756430 Name:
NA
Mol. Formula:
C26H30N4O5
M.W.:
478.55
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
105.09
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4744046 Name:
NA
Mol. Formula:
C30H31ClN6O3
M.W.:
559.07
Type:
Unknown
AlogP:
4.73
Polar Surface Area:
120.06
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4641964 Name:
2-(2,4-dimethoxyphenyl)-N-(2-morpholinoethyl)imidazo[1,2-a]pyridin-3-amine
Mol. Formula:
C21H26N4O3
M.W.:
382.46
Type:
Unknown
AlogP:
2.76
Polar Surface Area:
60.26
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4218360 Name:
N-(3-Chlorobenzyl)-2-(2-chloro-5-fluorophenoxy)ethanamine hydrochloride
Mol. Formula:
C15H15Cl3FNO
M.W.:
350.65
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4218307 Name:
N4-[2-(2,5-difluorophenoxy)ethyl]-N6-methyl-3,4-dihydro-2H-thiochromene-4,6Show More⌵
Mol. Formula:
C18H21ClF2N2O3S
M.W.:
418.89
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
67.43
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4214499 Name:
2-(2-Chloro-5-fluorophenoxy)-N-{2-[2-(methylsulfonyl)phenyl]ethyl}ethanaminShow More⌵
Mol. Formula:
C17H19ClFNO3S
M.W.:
371.86
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4213993 Name:
2-(2-Chloro-5-fluorophenoxy)-N-[2-(methylsulfonyl)benzyl]ethanamine hydrochShow More⌵
Mol. Formula:
C16H18Cl2FNO3S
M.W.:
394.30
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4213747 Name:
2-(2-Chloro-5-fluorophenoxy)-N-[5-chloro-2-(methylsulfonyl)benzyl]ethanaminShow More⌵
Mol. Formula:
C16H17Cl3FNO3S
M.W.:
428.74
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4210954 Name:
(R)-N4-[2-(2,5-difluorophenoxy)ethyl]-N6-methyl-3,4-dihydro-2H-thiochromeneShow More⌵
Mol. Formula:
C18H21ClF2N2O3S
M.W.:
418.89
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
67.43
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4210106 Name:
N-[2-(2-Chloro-5-fluorophenoxy)ethyl]-1-[2-(methylsulfonyl)phenyl]ethanaminShow More⌵
Mol. Formula:
C17H20Cl2FNO3S
M.W.:
408.32
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4209590 Name:
N-[2-(2-chloro-5-fluorophenoxy)ethyl]-3-[2-(methylsulfonyl)phenyl]propan-1-Show More⌵
Mol. Formula:
C18H21ClFNO3S
M.W.:
385.89
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4205740 Name:
N-[2-(2-Chloro-5-fluorophenoxy)ethyl]-3,4-dihydro-2Hthiochromen-4-amine 1,1Show More⌵
Mol. Formula:
C17H18Cl2FNO3S
M.W.:
406.31
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4205209 Name:
N-[2-(2-Chloro-5-fluorophenoxy)ethyl]-2,3-dihydro-1-benzothiophen-3-amine 1Show More⌵
Mol. Formula:
C16H16Cl2FNO3S
M.W.:
392.28
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3809314 Name:
(S)-1-(3-Hydroxypropyl)-5-(2-((2-(5-methyl-2-(2,2,2-trifluoroethoxy)phenoxyShow More⌵
Mol. Formula:
C26H32F3N3O4
M.W.:
507.55
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
98.74
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3809490 Name:
(R)-1-(3-Hydroxypropyl)-5-(2-((2-(5-methyl-2-(2,2,2-trifluoroethoxy)phenoxyShow More⌵
Mol. Formula:
C26H32F3N3O4
M.W.:
507.55
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
98.74
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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