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ALA5198332 Name:
1-(5-methylhexanoyl)-9H-pyrido[3,4-b]indole-3-carb
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Mol. Formula:
C19H20N2O3
M.W.:
324.38
Type:
---
AlogP:
4.42
Polar Surface Area:
83.05
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4168698 Name:
(Z)-(16-Hydroxyhexadec-9-enoyl)-L-alanine Methyl E
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Mol. Formula:
C20H37NO4
M.W.:
355.52
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
75.63
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3581619 Name:
deconin A
Mol. Formula:
C21H30O5
M.W.:
362.47
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3259982 Name:
(3E)-4-[3-(2-Hydroxyethyl)-1H-indol-5-yl]but-3-en-
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Mol. Formula:
C14H15NO2
M.W.:
229.28
Type:
Small molecule
AlogP:
2.30
Polar Surface Area:
53.09
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3109319 Name:
Nystatin dihydrate
Mol. Formula:
C47H77NO18
M.W.:
944.12
Type:
Small molecule
AlogP:
0.94
Polar Surface Area:
319.61
HBA:
17
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA222470 Name:
N,N-dimethyl-5-(methylthio)varacin
Mol. Formula:
C13H19NO2S6
M.W.:
413.70
Type:
Small molecule
AlogP:
5.59
Polar Surface Area:
21.70
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA222469 Name:
3,4-dimethoxy-6-(2'-N,N-dimethylaminoethyl)-5-(met
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Mol. Formula:
C13H19NO2S4
M.W.:
349.57
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
21.70
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA375614 Name:
lissoclinotoxin F
Mol. Formula:
C26H38N2O4S5
M.W.:
602.94
Type:
Small molecule
AlogP:
6.99
Polar Surface Area:
43.40
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA223012 Name:
lissoclibadin 2
Mol. Formula:
C26H38N2O4S5
M.W.:
602.94
Type:
Small molecule
AlogP:
6.99
Polar Surface Area:
43.40
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA220033 Name:
lissoclibadin 4
Mol. Formula:
C22H30N2O4S3
M.W.:
482.69
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
65.40
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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