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ALA4757910 Name:
3,3'-((3S,6S,9S,15S,24R,27S,30S,33S,38aS)-9-((6S,9
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Mol. Formula:
C228H350N60O67S2
M.W.:
5067.79
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3126054 Name:
trans-4-(2-Oxo-pyrrolidin-1-yl)-cyclohexanecarboxy
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Mol. Formula:
C22H23F2N3O2
M.W.:
399.44
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
62.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3126052 Name:
cis-4-(3-Cyclopropyl-2-oxo-imidazolidin-1-yl)-cycl
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Mol. Formula:
C24H26F2N4O2
M.W.:
440.49
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
65.54
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3126051 Name:
cis-4-(3-Isopropyl-2-oxo-imidazolidin-1-yl)-cycloh
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Mol. Formula:
C24H28F2N4O2
M.W.:
442.51
Type:
Small molecule
AlogP:
4.67
Polar Surface Area:
65.54
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3126041 Name:
cis-4-(2-Oxo-piperidin-1-yl)-cyclohexanecarboxylic
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Mol. Formula:
C23H25F2N3O2
M.W.:
413.47
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
62.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3126038 Name:
cis-N-(5-(3,5-Difluorophenyl)pyridin-2-yl)-N-methy
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Mol. Formula:
C23H25F2N3O2
M.W.:
413.47
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
53.51
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3104112 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
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Mol. Formula:
C182H293N43O59S
M.W.:
4059.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099727 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
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Mol. Formula:
C177H272N52O55
M.W.:
4008.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099726 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
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Mol. Formula:
C177H272N52O55
M.W.:
4008.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099725 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
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Mol. Formula:
C177H272N52O55
M.W.:
4008.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099724 Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,
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Mol. Formula:
C177H273N53O54
M.W.:
4007.45
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099723 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
Show More⌵
Mol. Formula:
C177H272N52O55
M.W.:
4008.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099722 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
Show More⌵
Mol. Formula:
C177H272N52O55
M.W.:
4008.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3099721 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S
Show More⌵
Mol. Formula:
C177H272N52O55
M.W.:
4008.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3084904 Name:
4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohe
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Mol. Formula:
C30H33F2N3O3S
M.W.:
553.68
Type:
Small molecule
AlogP:
4.90
Polar Surface Area:
88.16
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3084895 Name:
N-{4-[(6-Methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetr
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Mol. Formula:
C31H39N3O3S
M.W.:
533.74
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
80.32
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3084890 Name:
N-{4-[(1-Allyl-6-fluoro-1,2,3,4-tetrahydro-naphtha
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Mol. Formula:
C27H35FN2O2S
M.W.:
470.65
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
58.20
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3084889 Name:
N-{4-[(1-Allyl-6-hydroxy-1,2,3,4-tetrahydro-naphth
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Mol. Formula:
C27H36N2O3S
M.W.:
468.66
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
78.43
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3084886 Name:
N-{4-[(6-Fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetra
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Mol. Formula:
C30H36FN3O2S
M.W.:
521.70
Type:
Small molecule
AlogP:
5.24
Polar Surface Area:
71.09
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3084885 Name:
2-Fluoro-N-{4-[(6-fluoro-1-pyridin-3-ylmethyl-1,2,
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Mol. Formula:
C30H35F2N3O2S
M.W.:
539.69
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
71.09
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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