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ALA4757579 Name:
4-(2-(1-(4-(ethoxycarbonyl)phenyl)-3-(4-nitropheny
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Mol. Formula:
C24H19N5O8S
M.W.:
537.51
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
180.87
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5204780 Name:
Pyrrospirone N
Mol. Formula:
C33H43NO7
M.W.:
565.71
Type:
---
AlogP:
3.52
Polar Surface Area:
119.00
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5192811 Name:
Penicimeroterpenoid A
Mol. Formula:
C28H36O9
M.W.:
516.59
Type:
---
AlogP:
2.32
Polar Surface Area:
133.27
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5192788 Name:
Pyrrospirone M
Mol. Formula:
C32H41NO7
M.W.:
551.68
Type:
---
AlogP:
2.86
Polar Surface Area:
130.00
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5192236 Name:
Pyrrospirone P
Mol. Formula:
C33H43NO5
M.W.:
533.71
Type:
---
AlogP:
5.01
Polar Surface Area:
77.02
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5192066 Name:
Penicimeroterpenoid B
Mol. Formula:
C27H36O8
M.W.:
488.58
Type:
---
AlogP:
2.75
Polar Surface Area:
116.20
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5189251 Name:
Pyrrospirone K
Mol. Formula:
C32H41NO8
M.W.:
567.68
Type:
---
AlogP:
2.90
Polar Surface Area:
126.85
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5181794 Name:
Penicimeroterpenoid C
Mol. Formula:
C27H36O8
M.W.:
488.58
Type:
---
AlogP:
2.75
Polar Surface Area:
116.20
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5181027 Name:
Mol. Formula:
C32H41NO4
M.W.:
503.68
Type:
---
AlogP:
5.71
Polar Surface Area:
78.79
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5171831 Name:
Pyrrospirone L
Mol. Formula:
C33H43NO8
M.W.:
581.71
Type:
---
AlogP:
3.56
Polar Surface Area:
115.85
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2371864 Name:
H-Glu-Gly-Leu-Asn-pTyr-Hfe-Val-Leu-NH2
Mol. Formula:
C46H68N9O16PS
M.W.:
1066.14
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2371863 Name:
(S)-2-[2-((S)-2-{(S)-2-[(S)-2-{2-[(S)-2-((S)-2-Ami
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Mol. Formula:
C47H70N9O16P
M.W.:
1048.10
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2371862 Name:
(S)-2-[2-((S)-2-{(S)-2-[(S)-2-{2-[(S)-2-((S)-2-Ami
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Mol. Formula:
C46H68N9O16P
M.W.:
1034.07
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2172439 Name:
2-(2-((5-(1H-indol-2-yl)-1H-pyrrol-2-yl)methylene)
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Mol. Formula:
C26H20N4O
M.W.:
404.47
Type:
Small molecule
AlogP:
6.02
Polar Surface Area:
68.96
HBA:
2
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2172436 Name:
2-(2-((1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrr
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Mol. Formula:
C18H15N3O
M.W.:
289.34
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
53.17
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2172435 Name:
2-(2-((1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrr
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Mol. Formula:
C18H14BrN3O
M.W.:
368.23
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
53.17
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2172432 Name:
2-((5-(furan-2-yl)-3-methoxy-2H-pyrrol-2-ylidene)m
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Mol. Formula:
C14H12N2O2
M.W.:
240.26
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
50.52
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.90
DETAILS
CLOSE
ALA1800273 Name:
1-(2-methyl-4,5-disulfonatophenyl)-5-oxo-4,5-dihyd
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Mol. Formula:
C11H10N2O9S2
M.W.:
378.34
Type:
Small molecule
AlogP:
-0.33
Polar Surface Area:
178.71
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1800272 Name:
4-(N-acetyl-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan
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Cas Number:
823828-19-9
Mol. Formula:
C21H19NO6S
M.W.:
413.45
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
104.89
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA386769 Name:
H-Glu-Gly-Leu-Asn-pTyr-Ser(betaPh)-Val-leu-NH2
Mol. Formula:
C46H68N9O17P
M.W.:
1050.07
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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