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ALA3960997 Name:
3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-2,3-dihydro-1H-inden-2Show More⌵
Mol. Formula:
C28H37ClO2S
M.W.:
473.12
Type:
Small molecule
AlogP:
8.49
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3214138 Name:
SID26661182
Mol. Formula:
C18H21N3O3S
M.W.:
359.45
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
82.33
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3189047 Name:
SID104223915
Mol. Formula:
C25H20N6O5
M.W.:
484.47
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
145.56
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3189042 Name:
SID124398479
Mol. Formula:
C22H22N4O4S
M.W.:
438.51
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
79.99
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3185529 Name:
SID104223844
Mol. Formula:
C23H17ClN4O5
M.W.:
464.87
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
120.74
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3184977 Name:
SID104224041
Mol. Formula:
C28H23N3O5S
M.W.:
513.58
Type:
Small molecule
AlogP:
5.59
Polar Surface Area:
110.64
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3182682 Name:
SID104223875
Mol. Formula:
C24H20N8O3
M.W.:
468.48
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
137.90
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2374263 Name:
SID50112633
Mol. Formula:
C74H105N19O13
M.W.:
1468.77
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2374102 Name:
SID26748490
Mol. Formula:
C21H28ClNO4
M.W.:
393.91
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
73.16
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2373762 Name:
SID26756965
Mol. Formula:
C32H44N2O8
M.W.:
584.71
Type:
Small molecule
AlogP:
2.22
Polar Surface Area:
126.79
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1906517 Name:
SID50112446
Mol. Formula:
C119H198N36O37
M.W.:
2725.11
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1906206 Name:
SID26757016
Mol. Formula:
C18H27NO6
M.W.:
353.42
Type:
Small molecule
AlogP:
0.24
Polar Surface Area:
96.30
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1905558 Name:
SID26756927
Mol. Formula:
C21H36O4
M.W.:
352.52
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1904897 Name:
SID26756832
Mol. Formula:
C22H34O7
M.W.:
410.51
Type:
Small molecule
AlogP:
1.52
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1904549 Name:
SID50112464
Mol. Formula:
C138H229N43O38S
M.W.:
3130.68
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Protein
AlogP:
-0.16
Polar Surface Area:
205.74
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1904190 Name:
SID24270781
Mol. Formula:
C23H26N4O3
M.W.:
406.49
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
76.34
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1904140 Name:
SID92764212
Mol. Formula:
C23H28N4O6
M.W.:
456.50
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
141.84
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1903819 Name:
SID50112955
Mol. Formula:
C14H13NaO3
M.W.:
252.25
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
46.53
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
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