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ALA4876850 Name:
Podospin B
Mol. Formula:
C18H24O6
M.W.:
336.38
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4872581 Name:
Podospin D
Mol. Formula:
C19H24O6
M.W.:
348.40
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4869449 Name:
Podospin A
Mol. Formula:
C18H22O6
M.W.:
334.37
Type:
Unknown
AlogP:
2.25
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4869254 Name:
Cochliomycin D
Mol. Formula:
C19H22O7
M.W.:
362.38
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5287708 Name:
(2S,3S)-2-[[(1S)-3-amino-1-[3-(1-aminocyclohexyl)-
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Mol. Formula:
C16H26N6O6
M.W.:
398.42
Type:
---
AlogP:
-0.76
Polar Surface Area:
206.69
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5287411 Name:
(2S,3S)-2-[[(1S)-1-[3-[(1R)-1-amino-2-hydroxy-ethy
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Mol. Formula:
C16H28N6O7
M.W.:
416.44
Type:
---
AlogP:
-1.46
Polar Surface Area:
212.93
HBA:
9
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5286138 Name:
Isopenicin A
Mol. Formula:
C44H58O11
M.W.:
762.94
Type:
---
AlogP:
6.57
Polar Surface Area:
156.41
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5281548 Name:
Peniandranoid E
Mol. Formula:
C44H58O12
M.W.:
778.94
Type:
---
AlogP:
5.54
Polar Surface Area:
176.64
HBA:
12
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5280876 Name:
(2S,3S)-2-[[(1S)-3-amino-1-[3-[(1S)-1,5-diaminopen
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Mol. Formula:
C15H27N7O6
M.W.:
401.42
Type:
---
AlogP:
-1.75
Polar Surface Area:
232.71
HBA:
9
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5279809 Name:
Peniandranoid B
Mol. Formula:
C38H50O10
M.W.:
666.81
Type:
---
AlogP:
5.20
Polar Surface Area:
164.50
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5278932 Name:
2-[(5S,10S,14S)-14-[(1S)-1-hydroxyethyl]-5-(hydrox
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Mol. Formula:
C18H31N7O10
M.W.:
505.49
Type:
---
AlogP:
-5.93
Polar Surface Area:
259.54
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5278189 Name:
Isopenicin B
Mol. Formula:
C44H58O11
M.W.:
762.94
Type:
---
AlogP:
6.57
Polar Surface Area:
156.41
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5289661 Name:
Peniandranoid D
Mol. Formula:
C38H48O11
M.W.:
680.79
Type:
---
AlogP:
5.57
Polar Surface Area:
170.57
HBA:
11
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5288257 Name:
(2S,5S,8S,17S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2
Show More⌵
Mol. Formula:
C33H51N9O12
M.W.:
765.82
Type:
---
AlogP:
-6.61
Polar Surface Area:
353.73
HBA:
13
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4858781 Name:
Podospin F
Mol. Formula:
C19H24O6
M.W.:
348.40
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4856742 Name:
Podospin L
Mol. Formula:
C19H24O7
M.W.:
364.39
Type:
Unknown
AlogP:
1.82
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4856444 Name:
Podospin J
Mol. Formula:
C19H24O8
M.W.:
380.39
Type:
Unknown
AlogP:
0.79
Polar Surface Area:
133.52
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1077139 Name:
(6S,9S,12S,15S,18S,21S,24S,26aS,31aS)-21-benzyl-12
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Mol. Formula:
C58H87N9O9
M.W.:
1054.39
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4860053 Name:
Cochliomycin F
Mol. Formula:
C19H22O7
M.W.:
362.38
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4859918 Name:
Podospin G
Mol. Formula:
C19H24O6
M.W.:
348.40
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
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