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ALA2368572 Name:
Phillyraeoidin A
Mol. Formula:
C82H60O51
M.W.:
1861.33
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA607711 Name:
Vescalagin
Mol. Formula:
C41H26O26
M.W.:
934.63
Type:
Small molecule
AlogP:
1.32
Polar Surface Area:
455.18
HBA:
26
HBD:
16
#RO5 Violations:
3
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA508660 Name:
Mongolicain A
Mol. Formula:
C55H36O30
M.W.:
1176.86
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA510581 Name:
Castanopsiniin A
Mol. Formula:
C44H54O14
M.W.:
806.90
Type:
Small molecule
AlogP:
6.09
Polar Surface Area:
251.74
HBA:
13
HBD:
9
#RO5 Violations:
4
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA448857 Name:
Castanopsinin A
Mol. Formula:
C50H64O19
M.W.:
969.04
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
330.89
HBA:
19
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA506427 Name:
Grandinin
Mol. Formula:
C46H34O30
M.W.:
1066.75
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA506600 Name:
Sanguiin H-2
Mol. Formula:
C48H34O30
M.W.:
1090.77
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA451935 Name:
Elaeocarpusin
Mol. Formula:
C48H36O31
M.W.:
1108.79
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA504212 Name:
Strictinin
Mol. Formula:
C27H22O18
M.W.:
634.46
Type:
Small molecule
AlogP:
-0.30
Polar Surface Area:
310.66
HBA:
18
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA483230 Name:
4,5-di-O-galloylquinic acid
Mol. Formula:
C21H20O14
M.W.:
496.38
Type:
Small molecule
AlogP:
-0.36
Polar Surface Area:
251.74
HBA:
13
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA449947 Name:
1,2,3,6-tetra-O-galloyl-beta-D-glucose
Mol. Formula:
C34H28O22
M.W.:
788.58
Type:
Small molecule
AlogP:
0.70
Polar Surface Area:
377.42
HBA:
22
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA450636 Name:
1,4,6-tri-O-galloyl-beta-D-glucose
Mol. Formula:
C27H24O18
M.W.:
636.47
Type:
Small molecule
AlogP:
-0.28
Polar Surface Area:
310.66
HBA:
18
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA465552 Name:
amorphigenin
Mol. Formula:
C23H22O7
M.W.:
410.42
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
83.45
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA503154 Name:
Acutissimin A
Mol. Formula:
C56H38O31
M.W.:
1206.89
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
succinylcholine Name:
N,N,N-trimethyl-2-({4-oxo-4-[2-(trimethylammonio)ethoxy]butanoyl}oxy)ethanaShow More⌵
Mol. Formula:
C14H30N2O4+2
M.W.:
290.40
Type:
Small molecule
AlogP:
0.27
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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