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ALA5093878 Name:
Mol. Formula:
C137H201N41O44S6
M.W.:
3318.76
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5091679 Name:
Mol. Formula:
C137H206N40O44S6
M.W.:
3309.79
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5091623 Name:
Mol. Formula:
C133H207N41O44S6
M.W.:
3276.76
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5084333 Name:
Mol. Formula:
C135H204N42O43S7
M.W.:
3327.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5083412 Name:
Mol. Formula:
C133H206N40O44S6
M.W.:
3261.75
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5082582 Name:
Mol. Formula:
C140H208N42O44S6
M.W.:
3375.86
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5077579 Name:
Mol. Formula:
C137H206N40O45S6
M.W.:
3325.79
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4447866 Name:
Presilphiperfolane-7alpha,8alpha-diol; rel-(2aS,2a1S,4aR,7R,7aS)-2a,4,4,7-tShow More⌵
Mol. Formula:
C15H26O2
M.W.:
238.37
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.68
DETAILS
CLOSE
ALA3589419 Name:
4',5-dihydroxy-7-methoxy-6,8-dimethylisoflavone
Mol. Formula:
C18H16O5
M.W.:
312.32
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
79.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3581167 Name:
adametizine A
Mol. Formula:
C21H23ClN2O8S2
M.W.:
531.01
Type:
Small molecule
AlogP:
1.18
Polar Surface Area:
129.00
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3577260 Name:
variecolortide C
Mol. Formula:
C35H29N3O7
M.W.:
603.63
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
149.98
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3577259 Name:
variecolortide B
Mol. Formula:
C34H27N3O7
M.W.:
589.60
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
160.98
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3577258 Name:
dehydroechinulin
Mol. Formula:
C34H45N3O2
M.W.:
527.75
Type:
Small molecule
AlogP:
7.13
Polar Surface Area:
73.99
HBA:
2
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3577257 Name:
Rubrumazine C
Mol. Formula:
C24H33N3O4
M.W.:
427.55
Type:
Small molecule
AlogP:
1.85
Polar Surface Area:
114.45
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3409092 Name:
Mansonrin C
Mol. Formula:
C14H14O3
M.W.:
230.26
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
39.44
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.65
DETAILS
CLOSE
ALA3409091 Name:
Mansonrin B
Mol. Formula:
C14H16O3
M.W.:
232.28
Type:
Small molecule
AlogP:
3.24
Polar Surface Area:
50.44
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3409090 Name:
Mansonrin A
Mol. Formula:
C15H18O3
M.W.:
246.31
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
39.44
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3286772 Name:
isaridins B
Mol. Formula:
C40H55N5O7
M.W.:
717.91
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
145.43
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3286771 Name:
isaridins A
Mol. Formula:
C39H53N5O7
M.W.:
703.88
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
145.43
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3286770 Name:
desmethylisaridin C1
Mol. Formula:
C35H53N5O7
M.W.:
655.84
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
154.22
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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