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ALA1603145 Name:
SID17458783
Mol. Formula:
C16H16N2O2S
M.W.:
300.38
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
61.36
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1602125 Name:
SID17469968
Mol. Formula:
C19H16ClNO2
M.W.:
325.80
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4550698 Name:
Penerpene I
Mol. Formula:
C27H35NO7
M.W.:
485.58
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
147.15
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4794022 Name:
4-(3-bromophenyl)-1-chloro-2-(2-nitrophenylthio)-2
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Mol. Formula:
C25H20BrClN2O4S
M.W.:
559.87
Type:
Unknown
AlogP:
7.09
Polar Surface Area:
92.47
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4792963 Name:
2-hydroxy-5-(5-((3-oxobenzo[b]thiophen-2(3H)-ylide
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Mol. Formula:
C20H12O5S
M.W.:
364.38
Type:
Unknown
AlogP:
4.68
Polar Surface Area:
87.74
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4792956 Name:
4-(5-((1,3-dioxo-1H-inden-2(3H)-ylidene)methyl)fur
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Mol. Formula:
C22H14O5
M.W.:
358.35
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
84.58
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4556406 Name:
Pyrapaxilline
Mol. Formula:
C37H47NO6
M.W.:
601.78
Type:
Unknown
AlogP:
5.56
Polar Surface Area:
112.01
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4780469 Name:
1-chloro-4-(4-fluorophenyl)-2-(2-nitrophenylthio)-
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Mol. Formula:
C25H20ClFN2O4S
M.W.:
498.96
Type:
Unknown
AlogP:
6.47
Polar Surface Area:
92.47
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4590291 Name:
Penerpene G
Mol. Formula:
C27H33NO5
M.W.:
451.56
Type:
Unknown
AlogP:
3.89
Polar Surface Area:
91.78
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4456894 Name:
Paspaline B
Cas Number:
173268-84-3
Mol. Formula:
C28H37NO3
M.W.:
435.61
Type:
Unknown
AlogP:
5.31
Polar Surface Area:
62.32
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4455190 Name:
Shearinine B
Mol. Formula:
C37H47NO6
M.W.:
601.78
Type:
Unknown
AlogP:
5.42
Polar Surface Area:
112.01
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4435824 Name:
Paspalinine
Mol. Formula:
C27H31NO4
M.W.:
433.55
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
71.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3260378 Name:
3-(5-(4-(4-chlorobenzyloxy)phenyl)-1-(3-methylbenz
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Mol. Formula:
C31H32ClNO5
M.W.:
534.05
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3260377 Name:
3-(5-(4-(3-chlorobenzyloxy)phenyl)-1-(3-methylbenz
Show More⌵
Mol. Formula:
C31H32ClNO5
M.W.:
534.05
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3260376 Name:
3-(5-(4-(2-chlorobenzyloxy)phenyl)-1-(3-methylbenz
Show More⌵
Mol. Formula:
C31H32ClNO5
M.W.:
534.05
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3260375 Name:
5-(hydroxymethyl)-3-(1-(3-methylbenzylamino)-5-(2-
Show More⌵
Mol. Formula:
C31H32N2O7
M.W.:
544.60
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
128.00
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA3260374 Name:
5-(hydroxymethyl)-3-(1-(3-methylbenzylamino)-5-(2-
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Mol. Formula:
C32H32F3NO5
M.W.:
567.60
Type:
Small molecule
AlogP:
5.84
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA3260373 Name:
3-(5-(2-(benzyloxy)phenyl)-1-(3-methylbenzylamino)
Show More⌵
Mol. Formula:
C31H33NO5
M.W.:
499.61
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3260372 Name:
3-(5-(3-(4-chlorobenzyloxy)phenyl)-1-(3-methylbenz
Show More⌵
Mol. Formula:
C31H32ClNO5
M.W.:
534.05
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3260371 Name:
3-(5-(3-(3-chlorobenzyloxy)phenyl)-1-(3-methylbenz
Show More⌵
Mol. Formula:
C31H32ClNO5
M.W.:
534.05
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
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