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Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
83.02
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4283413 Name:
4-(1,5-bis(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-
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Mol. Formula:
C21H16Cl2N2O2
M.W.:
399.28
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
56.06
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4115540 Name:
US9409931, 6
Mol. Formula:
C28H40O5
M.W.:
456.62
Type:
Small molecule
AlogP:
4.37
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4113544 Name:
US9409931, 7
Mol. Formula:
C28H40O5
M.W.:
456.62
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4111556 Name:
US9409931, 5
Mol. Formula:
C28H40O4
M.W.:
440.62
Type:
Small molecule
AlogP:
5.25
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3926213 Name:
US9409931, 8
Mol. Formula:
C27H38O6
M.W.:
458.60
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3102881 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C28H34ClNO6
M.W.:
516.03
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
116.09
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3105111 Name:
Ingenol 3-(2-methyl-6-methylamino)-benzoate
Mol. Formula:
C29H37NO6
M.W.:
495.62
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
116.09
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3105109 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C27H32FNO6
M.W.:
485.55
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
130.08
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3105108 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C27H32ClNO6
M.W.:
502.01
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
130.08
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3105107 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C28H35NO7
M.W.:
497.59
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
139.31
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3105105 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C28H33ClO6
M.W.:
501.02
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3105101 Name:
Ingenol 3-o-hexadecanylamino-benzoate
Mol. Formula:
C43H65NO6
M.W.:
691.99
Type:
Small molecule
AlogP:
8.57
Polar Surface Area:
116.09
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3105099 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C34H39NO6
M.W.:
557.69
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
116.09
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3105097 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C27H33NO6
M.W.:
467.56
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
130.08
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3105093 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C30H38O7
M.W.:
510.63
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3105091 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C30H38O6
M.W.:
494.63
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3105090 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C28H34O6
M.W.:
466.57
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3105025 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
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Mol. Formula:
C35H41NO7
M.W.:
587.71
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
125.32
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3105024 Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydr
Show More⌵
Mol. Formula:
C35H41NO6
M.W.:
571.71
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
116.09
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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