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ALA4475769 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-[3-(3'-carbam
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Mol. Formula:
C46H65FN4O13
M.W.:
901.04
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
216.74
HBA:
16
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4475140 Name:
3-O-Descladinosyl-3-O-[3'-(3''-amino-pyrid-5''-yl)
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Mol. Formula:
C42H64N4O11
M.W.:
800.99
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
182.72
HBA:
15
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4474918 Name:
3-O-Descladinosyl-3-O-[N-(3'-(3''-pyridyl)propyl)c
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Mol. Formula:
C41H66N4O12
M.W.:
806.99
Type:
Unknown
AlogP:
4.89
Polar Surface Area:
185.80
HBA:
15
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4474631 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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Mol. Formula:
C43H61FN4O11
M.W.:
828.98
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
190.56
HBA:
15
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4540735 Name:
3-O-Descladinosyl-3-O-[3'-allylamino-propionyl]-6-
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Mol. Formula:
C38H65N3O12
M.W.:
755.95
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
172.91
HBA:
15
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4539620 Name:
(R)-4-((1S,2S,4S,5Z/E)-5-Ethylidene-1-azabicyclo[2
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Mol. Formula:
C22H28N2O3
M.W.:
368.48
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
65.82
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4537454 Name:
(S)-4-[((1S,2S,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]o
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Mol. Formula:
C20H25FN2O
M.W.:
328.43
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
25.36
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4537160 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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Mol. Formula:
C40H58FN3O13
M.W.:
807.91
Type:
Unknown
AlogP:
4.61
Polar Surface Area:
201.84
HBA:
15
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4537107 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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Mol. Formula:
C46H63FN4O13
M.W.:
899.02
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
216.74
HBA:
16
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4521597 Name:
(1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4
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Mol. Formula:
C41H62FN5O10S
M.W.:
836.04
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
171.85
HBA:
15
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4521180 Name:
1-(1-(1-(Phenylsulfonyl)-1H-indol-3-yl)propylidene
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Mol. Formula:
C18H18N4O3S
M.W.:
370.43
Type:
Unknown
AlogP:
2.66
Polar Surface Area:
106.55
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4535756 Name:
6-Alloxy-(R)-4-[((1S,2S,4S,5R)-5-ethyl-1-azabicycl
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Mol. Formula:
C22H28N2O2
M.W.:
352.48
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
45.59
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4535186 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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Mol. Formula:
C44H60FN3O14
M.W.:
873.97
Type:
Unknown
AlogP:
5.05
Polar Surface Area:
221.81
HBA:
15
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4534916 Name:
1-(1-(5-Bromo-1-(phenylsulfonyl)-1H-indol-3-yl)eth
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Mol. Formula:
C17H15BrN4O2S2
M.W.:
451.37
Type:
Unknown
AlogP:
3.20
Polar Surface Area:
89.48
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4534286 Name:
3-O-Descladinosyl-3-O-[3'-(2''-amino-pyrid-3''-yl)
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Mol. Formula:
C42H64N4O11
M.W.:
800.99
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
182.72
HBA:
15
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4531813 Name:
3-O-Descladinosyl-3-O-[3'-(3''-(3'''-pyridyl)propa
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Mol. Formula:
C43H66N4O12
M.W.:
831.02
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
185.80
HBA:
16
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4561043 Name:
3-O-Descladinosyl-3-O-[3'-(3''-(1''',2''',3''',4''
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Mol. Formula:
C47H76N4O12
M.W.:
889.14
Type:
Unknown
AlogP:
5.65
Polar Surface Area:
184.94
HBA:
16
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4561002 Name:
(R)-4-((1S,2S,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oc
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Mol. Formula:
C22H30N2O2
M.W.:
354.49
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
45.59
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4560820 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-[3-(3'-carbox
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Mol. Formula:
C44H60FN3O13
M.W.:
857.97
Type:
Unknown
AlogP:
5.76
Polar Surface Area:
201.84
HBA:
15
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4557944 Name:
2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
Show More⌵
Mol. Formula:
C48H65FN4O13
M.W.:
925.06
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
202.75
HBA:
16
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
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