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ALA3192218 Name:
SID17506472
Mol. Formula:
C13H9N5O5
M.W.:
315.25
Type:
Small molecule
AlogP:
1.66
Polar Surface Area:
140.63
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2369532 Name:
(2S)-2-acetamido-3-((2S)-2-((2S,3R)-1-(1-amino-3-(naphthalen-1-yl)-1-oxoproShow More⌵
Mol. Formula:
C27H36N5O10P
M.W.:
621.58
Type:
Protein
AlogP:
-1.18
Polar Surface Area:
237.69
HBA:
8
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA2369531 Name:
(2S)-2-acetamido-3-((2S)-2-((2S,3R)-1-(1-amino-3-(naphthalen-2-yl)-1-oxoproShow More⌵
Mol. Formula:
C27H36N5O10P
M.W.:
621.58
Type:
Protein
AlogP:
-1.18
Polar Surface Area:
237.69
HBA:
8
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA2145323 Name:
SID103073453
Mol. Formula:
C20H19ClN2O6S
M.W.:
450.90
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
132.14
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2145199 Name:
SID99456059
Mol. Formula:
C18H13F2NO3S
M.W.:
361.37
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
70.42
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2144778 Name:
SID124754598
Mol. Formula:
C15H17ClN2O2
M.W.:
292.77
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
58.14
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA2144775 Name:
SID124753886
Mol. Formula:
C11H10N4OS
M.W.:
246.29
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
52.83
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA2144749 Name:
SID103076443
Mol. Formula:
C12H12N2OS
M.W.:
232.31
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2144744 Name:
SID99357897
Mol. Formula:
C23H40N6O4
M.W.:
464.61
Type:
Small molecule
AlogP:
1.78
Polar Surface Area:
112.82
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2144669 Name:
SID103051242
Mol. Formula:
C16H21N5
M.W.:
283.38
Type:
Small molecule
AlogP:
1.94
Polar Surface Area:
44.29
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA2144564 Name:
SID99360442
Mol. Formula:
C21H20O2
M.W.:
304.39
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA2144503 Name:
SID121285944
Mol. Formula:
C19H15BrN2S
M.W.:
383.31
Type:
Small molecule
AlogP:
5.72
Polar Surface Area:
17.30
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2144388 Name:
SID121285710
Mol. Formula:
C14H12BrNO
M.W.:
290.16
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
29.10
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA2144258 Name:
SID103075991
Mol. Formula:
C17H15FN2O2
M.W.:
298.32
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
58.14
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA2144173 Name:
SID99454950
Mol. Formula:
C17H17N3O2
M.W.:
295.34
Type:
Small molecule
AlogP:
3.19
Polar Surface Area:
56.49
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2144146 Name:
SID103158796
Mol. Formula:
C14H15N3O3
M.W.:
273.29
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
77.29
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2144127 Name:
SID99358309
Mol. Formula:
C34H37F3N4O4
M.W.:
622.69
Type:
Small molecule
AlogP:
6.39
Polar Surface Area:
87.04
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA2143992 Name:
SID99456285
Mol. Formula:
C17H18N4O3
M.W.:
326.36
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
82.18
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2143881 Name:
SID99356150
Mol. Formula:
C17H12O2
M.W.:
248.28
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
30.21
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2143836 Name:
SID121283270
Mol. Formula:
C15H11N3O4
M.W.:
297.27
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
98.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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