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ALA3392010 Name:
SID46501218
Mol. Formula:
C30H48O4
M.W.:
472.71
Type:
Small molecule
AlogP:
5.74
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3391987 Name:
SID47195527
Mol. Formula:
C34H42BaO6
M.W.:
684.03
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA3391984 Name:
SID89855456
Mol. Formula:
C24H36O4
M.W.:
388.55
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
55.90
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3208566 Name:
SID22407580
Mol. Formula:
C24H26N4O4S
M.W.:
466.56
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
94.93
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3191369 Name:
SID24806236
Mol. Formula:
C12H9N3O4
M.W.:
259.22
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
97.85
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2373959 Name:
SID89854510
Mol. Formula:
C17H23N5O3
M.W.:
345.40
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
79.62
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA2373958 Name:
SID46501260
Mol. Formula:
C25H41NO7
M.W.:
467.60
Type:
Small molecule
AlogP:
0.13
Polar Surface Area:
100.85
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2373957 Name:
SID46501273
Mol. Formula:
C24H39NO7
M.W.:
453.58
Type:
Small molecule
AlogP:
-0.38
Polar Surface Area:
111.85
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA2373737 Name:
SID46501177
Mol. Formula:
C20H27NO3
M.W.:
329.44
Type:
Small molecule
AlogP:
1.11
Polar Surface Area:
63.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2145432 Name:
SID57268311
Mol. Formula:
C25H27N3O6
M.W.:
465.51
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
108.63
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA2145429 Name:
SID87336782
Mol. Formula:
C27H37ClN4O4
M.W.:
517.07
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
94.74
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2145419 Name:
SID85200369
Mol. Formula:
C28H40N2O7
M.W.:
516.64
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
131.03
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA2145415 Name:
SID89854999
Mol. Formula:
C20H17N5O
M.W.:
343.39
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
74.81
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA2145406 Name:
SID49819801
Mol. Formula:
C28H26N4O3S
M.W.:
498.61
Type:
Small molecule
AlogP:
4.13
Polar Surface Area:
97.29
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2145399 Name:
SID57267247
Mol. Formula:
C28H34N4O6
M.W.:
522.60
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
136.72
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2145385 Name:
SID87342060
Mol. Formula:
C22H25FN2O5S
M.W.:
448.52
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
76.15
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2145378 Name:
SID85302042
Mol. Formula:
C33H41N5O6
M.W.:
603.72
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
128.19
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2145377 Name:
SID85200000
Mol. Formula:
C13H16N2O3S
M.W.:
280.35
Type:
Small molecule
AlogP:
1.58
Polar Surface Area:
59.50
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2145364 Name:
SID17415888
Mol. Formula:
C18H18N2O4S
M.W.:
358.42
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
76.66
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2145363 Name:
SID4264464
Mol. Formula:
C19H29N3O
M.W.:
315.46
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
35.58
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
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