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ALA4476574 Name:
5,7,12,13-Tetraoxo-5,7,12,13-tetrahydrodinaphtho[2
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Mol. Formula:
C25H17NO6S
M.W.:
459.48
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
106.61
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4474312 Name:
2-Methoxydinaphtho[2,3-b:2',3'-d]thiophene-5,7,12,
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Mol. Formula:
C21H10O5S
M.W.:
374.37
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
77.51
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4556317 Name:
N'-(2-(3-(3-bromobenzyl)-5-oxo-4,5-dihydro-1H-1,2,
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Mol. Formula:
C25H25BrN6O5
M.W.:
569.42
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
142.33
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4554800 Name:
5H-dibenzo[b,h]carbazole-5,7,12,13(6H)-tetraone
Mol. Formula:
C20H9NO4
M.W.:
327.30
Type:
Unknown
AlogP:
1.94
Polar Surface Area:
84.07
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4744983 Name:
3-Fluoro-N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b
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Mol. Formula:
C23H18F2N6O2S2
M.W.:
512.57
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4744902 Name:
N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b]thiazol-
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Mol. Formula:
C23H19FN6O2S2
M.W.:
494.58
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4741558 Name:
4-Chloro-N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b
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Mol. Formula:
C23H18ClFN6O2S2
M.W.:
529.02
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4576074 Name:
Naphtho[2',3':4,5]thieno[3,2-g]quinoline-5,6,11,13
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Mol. Formula:
C19H7NO4S
M.W.:
345.34
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
81.17
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4759768 Name:
4-Chloro-N-(3-((4-(6-(3-fluorophenyl)imidazo[2,1-b
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Mol. Formula:
C25H20ClFN6OS
M.W.:
506.99
Type:
Unknown
AlogP:
5.54
Polar Surface Area:
84.21
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4758854 Name:
N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b]thiazol-
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Mol. Formula:
C25H18F4N6OS
M.W.:
526.52
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
84.21
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4757241 Name:
NA
Mol. Formula:
C125H188N34O30
M.W.:
2647.09
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4779085 Name:
4-Bromo-N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b]
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Mol. Formula:
C23H18BrFN6O2S2
M.W.:
573.47
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4778491 Name:
N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b]thiazol-
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Mol. Formula:
C24H21FN6O2S2
M.W.:
508.60
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4782052 Name:
4-Fluoro-N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b
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Mol. Formula:
C23H18F2N6O2S2
M.W.:
512.57
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4796095 Name:
Ent-Shiraiachrome A
Mol. Formula:
C30H26O10
M.W.:
546.53
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
148.82
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4794125 Name:
4-Fluoro-N-(3-((4-(6-(3-fluorophenyl)imidazo[2,1-b
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Mol. Formula:
C24H20F2N6O2S2
M.W.:
526.59
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4793204 Name:
Hypocrellin B
Mol. Formula:
C30H24O9
M.W.:
528.51
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
128.59
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4792950 Name:
Hypocrellin
Mol. Formula:
C30H26O10
M.W.:
546.53
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
148.82
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4787993 Name:
3-Fluoro-N-(3-((4-(6-(3-fluorophenyl)imidazo[2,1-b
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Mol. Formula:
C24H20F2N6O2S2
M.W.:
526.59
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4787050 Name:
Hypomycin E
Mol. Formula:
C29H26O9
M.W.:
518.52
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
142.75
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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