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ALA3938768 Name:
Crinipellin H
Mol. Formula:
C19H26O3
M.W.:
302.41
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
49.83
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA2431955 Name:
4-(N-(4-cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-(2-(trifluoromethyl)beShow More⌵
Mol. Formula:
C36H30F8N2O6S
M.W.:
770.70
Type:
Small molecule
AlogP:
8.28
Polar Surface Area:
115.22
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA1986725 Name:
SID24818298
Mol. Formula:
C14H13BrN4O2
M.W.:
349.19
Type:
Small molecule
AlogP:
1.65
Polar Surface Area:
82.92
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1736997 Name:
SID57288042
Mol. Formula:
C24H23N3S
M.W.:
385.54
Type:
Small molecule
AlogP:
5.82
Polar Surface Area:
29.02
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1736334 Name:
SID57288036
Mol. Formula:
C27H34N4OS
M.W.:
462.66
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
41.49
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1736009 Name:
SID85261426
Mol. Formula:
C14H14N2O3
M.W.:
258.28
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
64.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA1735352 Name:
SID57288063
Mol. Formula:
C17H13N3O3
M.W.:
307.31
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
98.22
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1729988 Name:
SID85261424
Mol. Formula:
C13H11ClN2O2
M.W.:
262.70
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
55.13
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA1729867 Name:
SID81080222
Mol. Formula:
C18H16FN3OS
M.W.:
341.41
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
46.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1729319 Name:
SID85261425
Mol. Formula:
C14H13BrN2O3
M.W.:
337.17
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
64.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA1726793 Name:
SID85281104
Mol. Formula:
C18H19N3OS
M.W.:
325.44
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
49.25
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1723042 Name:
SID57287833
Mol. Formula:
C20H21N3O2S
M.W.:
367.47
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
55.32
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1722282 Name:
SID57288064
Mol. Formula:
C17H14N2O3
M.W.:
294.31
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
64.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1720750 Name:
SID57288040
Mol. Formula:
C20H21N3OS
M.W.:
351.48
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
46.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1720343 Name:
SID81080223
Mol. Formula:
C18H17N3OS
M.W.:
323.42
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
46.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1717477 Name:
SID57288068
Mol. Formula:
C14H14N2O2
M.W.:
242.28
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
46.34
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.83
DETAILS
CLOSE
ALA1714020 Name:
SID85281103
Mol. Formula:
C22H23N3OS
M.W.:
377.51
Type:
Small molecule
AlogP:
4.67
Polar Surface Area:
46.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1712106 Name:
SID57287838
Mol. Formula:
C22H25N3S
M.W.:
363.53
Type:
Small molecule
AlogP:
5.03
Polar Surface Area:
29.02
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1711955 Name:
SID57287843
Mol. Formula:
C29H31N3S
M.W.:
453.66
Type:
Small molecule
AlogP:
6.62
Polar Surface Area:
29.02
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA1711489 Name:
SID57288041
Mol. Formula:
C23H27N3OS
M.W.:
393.56
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
49.25
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
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