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ALA4514117 Name:
Eudesmaafraglaucolide
Mol. Formula:
C19H24O7
M.W.:
364.39
Type:
Unknown
AlogP:
1.44
Polar Surface Area:
99.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4528763 Name:
Benwamycin F
Mol. Formula:
C20H26O3
M.W.:
314.43
Type:
Unknown
AlogP:
4.00
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4527291 Name:
Benwamycin A
Mol. Formula:
C17H26O4
M.W.:
294.39
Type:
Unknown
AlogP:
1.67
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4518431 Name:
(+)-Arteglasin A
Cas Number:
33204-39-6
Mol. Formula:
C17H20O5
M.W.:
304.34
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
65.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4547130 Name:
Benwamycin H
Mol. Formula:
C20H28O4
M.W.:
332.44
Type:
Unknown
AlogP:
3.65
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4589064 Name:
Benwamycin D
Mol. Formula:
C20H28O5
M.W.:
348.44
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4460955 Name:
Benwamycin G
Mol. Formula:
C20H26O4
M.W.:
330.42
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4098029 Name:
2-nitro-alpha-desmotroposantonin
Mol. Formula:
C15H17NO5
M.W.:
291.30
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
89.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4097109 Name:
3,6,9-trimethyl-2,3,3a,4,5,9b-hexahydronaphtho[1,2
Show More⌵
Mol. Formula:
C15H20O3
M.W.:
248.32
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.74
DETAILS
CLOSE
ALA4104415 Name:
(R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
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Mol. Formula:
C21H25N3O4
M.W.:
383.45
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
105.36
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4472301 Name:
Benwamycin B
Mol. Formula:
C17H26O3
M.W.:
278.39
Type:
Unknown
AlogP:
2.48
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4471601 Name:
Benwamycin C
Mol. Formula:
C19H26O5
M.W.:
334.41
Type:
Unknown
AlogP:
2.44
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4092953 Name:
(R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
Show More⌵
Mol. Formula:
C19H27NO3
M.W.:
317.43
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA4089397 Name:
(S)-3,5a,9-[trimethyl-2-oxo-2,4,5,5a,6,7-hexahydro
Show More⌵
Cas Number:
6308-44-7
Mol. Formula:
C17H20O4
M.W.:
288.34
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4086940 Name:
3,6,9-trimethyl-2,3,3a,4,5,9b-hexahydronaphtho[1,2
Show More⌵
Mol. Formula:
C19H24O5
M.W.:
332.40
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4085210 Name:
(R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
Show More⌵
Mol. Formula:
C22H27NO3
M.W.:
353.46
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4072193 Name:
(R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
Show More⌵
Mol. Formula:
C15H20O3
M.W.:
248.32
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
ALA4063595 Name:
(R)-N-(3-hydroxy-4-methylphenyl)-2-((R)-7-hydroxy-
Show More⌵
Mol. Formula:
C22H27NO3
M.W.:
353.46
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4059571 Name:
(3S,3aS,5aS)-8-[chloro-3,5a,9-trimethyl-3a,4,5,5a-
Show More⌵
Mol. Formula:
C15H17ClO2
M.W.:
264.75
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4081525 Name:
2-amino-alpha-desmotroposantonin
Mol. Formula:
C15H19NO3
M.W.:
261.32
Type:
Small molecule
AlogP:
2.39
Polar Surface Area:
72.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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