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ALA4524075 Name:
methylangolensate MW
Mol. Formula:
C25H28O8
M.W.:
456.49
Type:
Unknown
AlogP:
2.08
Polar Surface Area:
105.20
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3354990 Name:
Ficifolidione
Mol. Formula:
C25H38O3
M.W.:
386.58
Type:
Small molecule
AlogP:
5.72
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3039236 Name:
Khayasin
Mol. Formula:
C32H42O8
M.W.:
554.68
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
109.11
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA2386304 Name:
Nimonol
Mol. Formula:
C28H36O5
M.W.:
452.59
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
76.74
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2288880 Name:
desacetylnimbin MW
Mol. Formula:
C28H34O9
M.W.:
514.57
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
125.43
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2288879 Name:
nimbin MW
Mol. Formula:
C30H36O10
M.W.:
556.61
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
131.50
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2288878 Name:
nimbin pp
Mol. Formula:
C30H36O11
M.W.:
572.61
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
151.73
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2288877 Name:
nimbinolide
Mol. Formula:
C30H36O11
M.W.:
572.61
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
151.73
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2288876 Name:
desacetyl salannolide
Mol. Formula:
C32H42O10
M.W.:
586.68
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
137.82
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA2288875 Name:
3-oxosalannin
Mol. Formula:
C32H40O8
M.W.:
552.66
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
101.27
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2288874 Name:
2'3'-dehydro salannol
Mol. Formula:
C32H44O8
M.W.:
556.70
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
104.43
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2288873 Name:
salannin pp
Mol. Formula:
C34H44O11
M.W.:
628.72
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
143.89
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2288872 Name:
salannolide
Mol. Formula:
C34H44O11
M.W.:
628.72
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
143.89
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2288871 Name:
salannin pp1
Mol. Formula:
C34H44O11
M.W.:
628.72
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
143.89
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2288870 Name:
homoazadiradione
Mol. Formula:
C29H38O4
M.W.:
450.62
Type:
Small molecule
AlogP:
6.63
Polar Surface Area:
56.51
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2288869 Name:
epoxy azadiradione pp
Mol. Formula:
C28H34O8
M.W.:
498.57
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
119.50
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2288868 Name:
azadiradione pp
Mol. Formula:
C28H34O7
M.W.:
482.57
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
106.97
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA2288867 Name:
epoxy nimonol
Mol. Formula:
C28H36O6
M.W.:
468.59
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
89.27
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2288866 Name:
nimonol MW
Mol. Formula:
C28H36O6
M.W.:
468.59
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
89.90
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2288865 Name:
6-oxonimonol
Mol. Formula:
C28H34O5
M.W.:
450.58
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
73.58
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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