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ALA4790096 Name:
Pyrrospirone F
Mol. Formula:
C32H41NO5
M.W.:
519.68
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
95.86
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4757140 Name:
NA
Mol. Formula:
C32H39NO4
M.W.:
501.67
Type:
Unknown
AlogP:
5.15
Polar Surface Area:
72.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4764487 Name:
Pyrrospirone C
Mol. Formula:
C33H43NO5
M.W.:
533.71
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
84.86
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5208121 Name:
(3Z)-3-(3-oxobenzoselenophen-2-ylidene)-1-[(2S,3S,
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Mol. Formula:
C22H19NO7Se
M.W.:
488.35
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5198503 Name:
(3Z)-3-(3-oxobenzoselenophen-2-ylidene)-5-(trifluo
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Mol. Formula:
C17H8F3NO3Se
M.W.:
410.21
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5170058 Name:
(3Z)-3-(3-oxobenzoselenophen-2-ylidene)-1-[(2S,3R,
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Mol. Formula:
C22H19NO6Se
M.W.:
472.36
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4802119 Name:
NA
Mol. Formula:
C33H43NO4
M.W.:
517.71
Type:
Unknown
AlogP:
5.74
Polar Surface Area:
64.63
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4800414 Name:
Penicipyrrodiether A
Mol. Formula:
C43H53NO8
M.W.:
711.90
Type:
Unknown
AlogP:
5.93
Polar Surface Area:
134.55
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4762547 Name:
6-isoinosine
Mol. Formula:
C10H12N4O5
M.W.:
268.23
Type:
Unknown
AlogP:
-2.27
Polar Surface Area:
133.49
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4780222 Name:
Peniciphenalenin E
Mol. Formula:
C16H14O5
M.W.:
286.28
Type:
Unknown
AlogP:
2.84
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4744009 Name:
Versicolorin B
Cas Number:
4331-22-0
Mol. Formula:
C18H12O7
M.W.:
340.29
Type:
Unknown
AlogP:
1.80
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4468410 Name:
N'-(3-(3,4-dimethylphenyl)-4-(2-oxo-2H-chromen-3-y
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Mol. Formula:
C30H21N3O5S
M.W.:
535.58
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
106.81
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4286474 Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-((4-((2-((2
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Mol. Formula:
C79H80N4O37
M.W.:
1677.50
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4177471 Name:
(1,10-Phenanthroline) trimethylstannyl 2-(4-methox
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Mol. Formula:
C42H30N6O12Sn
M.W.:
929.44
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4176108 Name:
Tricyclohexylstannyl 2-(4-methoxy-2-nitrophenylcar
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Mol. Formula:
C33H44N2O6Sn
M.W.:
683.43
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4175044 Name:
Triethylstannyl 2-(4-methoxy-2-nitrophenylcarbamoy
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Mol. Formula:
C21H26N2O6Sn
M.W.:
521.16
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4173242 Name:
(E)-4-((3,4,5-trimethoxyphenyl)diazenyl)benzene-1,
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Mol. Formula:
C15H16N2O5
M.W.:
304.30
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
92.87
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4171601 Name:
Diphenylstannanediyl bis 2-(4-methoxy-2-nitropheny
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Mol. Formula:
C42H32N4O12Sn
M.W.:
903.45
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4171448 Name:
Sodium 2-(4-methoxy-2-nitrophenylcarbamoyl)benzoat
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Mol. Formula:
C15H11N2NaO6
M.W.:
338.25
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
118.77
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4170253 Name:
(2,2'-Bipyridine) trimethylstannyl 2-(4-methoxy-2-
Show More⌵
Mol. Formula:
C40H30N6O12Sn
M.W.:
905.42
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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