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ALA4558100 Name:
Noursamycin A
Mol. Formula:
C40H54ClN9O8
M.W.:
824.38
Type:
Unknown
AlogP:
-0.18
Polar Surface Area:
279.73
HBA:
9
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4515489 Name:
Divergolide C
Mol. Formula:
C31H35NO8
M.W.:
549.62
Type:
Unknown
AlogP:
4.83
Polar Surface Area:
153.39
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4473032 Name:
Divergolide B
Mol. Formula:
C31H37NO7
M.W.:
535.64
Type:
Unknown
AlogP:
5.53
Polar Surface Area:
122.16
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5282916 Name:
Epiccocarines A
Mol. Formula:
C23H31NO4
M.W.:
385.50
Type:
---
AlogP:
4.22
Polar Surface Area:
86.63
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5269058 Name:
Epiccocarines B
Mol. Formula:
C23H31NO5
M.W.:
401.50
Type:
---
AlogP:
3.71
Polar Surface Area:
106.86
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5209453 Name:
2-((3R,4R)-3,4-dihydroxy-4-phenylpiperidin-1-yl)-8
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Mol. Formula:
C20H16F3N3O5S
M.W.:
467.43
Type:
---
AlogP:
3.04
Polar Surface Area:
116.80
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5208937 Name:
2-(hexyl(methyl)amino)-8-nitro-6-(trifluoromethyl)
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Mol. Formula:
C16H18F3N3O3S
M.W.:
389.40
Type:
---
AlogP:
4.60
Polar Surface Area:
76.34
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5208732 Name:
8-nitro-2-(2-phenyl-7,8-dihydropyrido[4,3-d]pyrimi
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Mol. Formula:
C22H14F3N5O3S
M.W.:
485.45
Type:
---
AlogP:
4.60
Polar Surface Area:
102.12
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5208588 Name:
2-(3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyra
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Mol. Formula:
C15H11F3N6O3S
M.W.:
412.35
Type:
---
AlogP:
2.50
Polar Surface Area:
107.05
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5208468 Name:
2-((3R,4R)-3-Hydroxy-4-phenylpiperidin-1-yl)-8-nit
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Mol. Formula:
C20H16F3N3O4S
M.W.:
451.43
Type:
---
AlogP:
3.94
Polar Surface Area:
96.57
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5208270 Name:
2-(4-((1-methylpiperidin-4-yl)oxy)piperidin-1-yl)-
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Mol. Formula:
C20H23F3N4O4S
M.W.:
472.49
Type:
---
AlogP:
3.66
Polar Surface Area:
88.81
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5207751 Name:
8-Nitro-2-(4-((1-(2,2,2-trifluoroethyl)piperidin-4
Show More⌵
Mol. Formula:
C21H22F6N4O4S
M.W.:
540.49
Type:
---
AlogP:
4.60
Polar Surface Area:
88.81
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5207582 Name:
2-(1-ethyl-2-phenyl-4,6-dihydropyrrolo[3,4-d]imida
Show More⌵
Mol. Formula:
C22H16F3N5O3S
M.W.:
487.46
Type:
---
AlogP:
4.99
Polar Surface Area:
94.16
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5206457 Name:
8-nitro-2-(4-phenethylpiperazin-1-yl)-6-(trifluoro
Show More⌵
Mol. Formula:
C21H19F3N4O3S
M.W.:
464.47
Type:
---
AlogP:
3.95
Polar Surface Area:
79.58
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5206453 Name:
8-nitro-2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piper
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Mol. Formula:
C19H20F3N5O4S
M.W.:
471.46
Type:
---
AlogP:
2.33
Polar Surface Area:
99.89
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5205537 Name:
2-((4-(hydroxymethyl)phenyl)amino)-8-nitro-6-(trif
Show More⌵
Mol. Formula:
C16H10F3N3O4S
M.W.:
397.33
Type:
---
AlogP:
3.82
Polar Surface Area:
105.36
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5204154 Name:
8-nitro-2-(2-phenyl-5,6-dihydro-[1,2,4]triazolo[1,
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Mol. Formula:
C20H13F3N6O3S
M.W.:
474.42
Type:
---
AlogP:
3.86
Polar Surface Area:
107.05
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5203558 Name:
2-((1H-indazol-5-yl)(methyl)amino)-8-nitro-6-(trif
Show More⌵
Mol. Formula:
C17H10F3N5O3S
M.W.:
421.36
Type:
---
AlogP:
4.23
Polar Surface Area:
105.02
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5203546 Name:
2-(4-(2-(1-methylpiperidin-4-yl)ethyl)piperidin-1-
Show More⌵
Mol. Formula:
C22H27F3N4O3S
M.W.:
484.54
Type:
---
AlogP:
4.92
Polar Surface Area:
79.58
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5203104 Name:
2-(benzyl(butyl)amino)-8-nitro-6-(trifluoromethyl)
Show More⌵
Mol. Formula:
C20H18F3N3O3S
M.W.:
437.44
Type:
---
AlogP:
5.39
Polar Surface Area:
76.34
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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