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ALA5289085 Name:
Chrotacumine K
Mol. Formula:
C18H21NO6
M.W.:
347.37
Type:
---
AlogP:
1.86
Polar Surface Area:
100.21
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1092123 Name:
(3-fluorophenyl)(2-hydroxy-4,6-dimethoxy-3-(pyrrol
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Mol. Formula:
C20H22FNO4
M.W.:
359.40
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1091429 Name:
(3-fluorophenyl)(2-hydroxy-4,6-dimethoxy-3-(piperi
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Mol. Formula:
C21H24FNO4
M.W.:
373.42
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1091435 Name:
(3-fluorophenyl)(2-hydroxy-4,6-dimethoxy-3-(morpho
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Mol. Formula:
C20H22FNO5
M.W.:
375.40
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
68.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1091050 Name:
(3-fluorophenyl)(2-hydroxy-4,6-dimethoxy-3-((4-met
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Mol. Formula:
C21H25FN2O4
M.W.:
388.44
Type:
Small molecule
AlogP:
2.53
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA1091049 Name:
(2-bromophenyl)(2-hydroxy-4,6-dimethoxy-3-(pyrroli
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Mol. Formula:
C20H22BrNO4
M.W.:
420.30
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1091048 Name:
(2-bromophenyl)(2-hydroxy-4,6-dimethoxy-3-(piperid
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Mol. Formula:
C21H24BrNO4
M.W.:
434.33
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1088969 Name:
(2-bromophenyl)(2-hydroxy-4,6-dimethoxy-3-(morphol
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Mol. Formula:
C20H22BrNO5
M.W.:
436.30
Type:
Small molecule
AlogP:
3.24
Polar Surface Area:
68.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1093734 Name:
(2-bromophenyl)(2-hydroxy-4,6-dimethoxy-3-((4-meth
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Mol. Formula:
C21H25BrN2O4
M.W.:
449.35
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1093733 Name:
(3-chlorophenyl)(2-hydroxy-4,6-dimethoxy-3-(pyrrol
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Mol. Formula:
C20H22ClNO4
M.W.:
375.85
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1093732 Name:
(3-chlorophenyl)(2-hydroxy-4,6-dimethoxy-3-(piperi
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Mol. Formula:
C21H24ClNO4
M.W.:
389.88
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1093731 Name:
(3-chlorophenyl)(2-hydroxy-4,6-dimethoxy-3-(morpho
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Mol. Formula:
C20H22ClNO5
M.W.:
391.85
Type:
Small molecule
AlogP:
3.13
Polar Surface Area:
68.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1093374 Name:
6-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl
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Cas Number:
1187187-03-6
Mol. Formula:
C13H10BNO5
M.W.:
271.04
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1093060 Name:
(3-chlorophenyl)(2-hydroxy-4,6-dimethoxy-3-((4-met
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Mol. Formula:
C21H25ClN2O4
M.W.:
404.89
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1089358 Name:
(2-fluorophenyl)(2-hydroxy-4,6-dimethoxy-3-(pyrrol
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Mol. Formula:
C20H22FNO4
M.W.:
359.40
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1089357 Name:
(2-fluorophenyl)(2-hydroxy-4,6-dimethoxy-3-(piperi
Show More⌵
Mol. Formula:
C21H24FNO4
M.W.:
373.42
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1089356 Name:
(2-fluorophenyl)(2-hydroxy-4,6-dimethoxyphenyl)met
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Mol. Formula:
C15H13FO4
M.W.:
276.26
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA1089355 Name:
(3-chlorophenyl)(2-hydroxy-4,6-dimethoxyphenyl)met
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Mol. Formula:
C15H13ClO4
M.W.:
292.72
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1093944 Name:
(2-bromophenyl)(2-hydroxy-4,6-dimethoxyphenyl)meth
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Mol. Formula:
C15H13BrO4
M.W.:
337.17
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA1093048 Name:
(3-fluorophenyl)(2-hydroxy-4,6-dimethoxyphenyl)met
Show More⌵
Mol. Formula:
C15H13FO4
M.W.:
276.26
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
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