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ALA3691805 Name:
US8969348, 2-{4-[(1-Methyl-1H-indol-3-yl)methyl]-1
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Mol. Formula:
C23H23N3O3
M.W.:
389.46
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3691804 Name:
US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]
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Mol. Formula:
C27H23N3O3
M.W.:
437.50
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3691803 Name:
US8969348, 2-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy
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Mol. Formula:
C24H25N3O3
M.W.:
403.48
Type:
Small molecule
AlogP:
4.21
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3691802 Name:
US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o
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Mol. Formula:
C26H21N3O3
M.W.:
423.47
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3691801 Name:
US8969348, 2-[4-(Naphthalen-1-ylmethyl)-1-oxophtha
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Mol. Formula:
C24H22N2O3
M.W.:
386.45
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
72.19
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3691800 Name:
US8969348, [4-(Naphthalen-1-ylmethyl)-1-oxophthala
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Mol. Formula:
C27H20N2O3
M.W.:
420.47
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
72.19
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3691799 Name:
US8969348, 3-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy
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Mol. Formula:
C22H21N3O3
M.W.:
375.43
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3691798 Name:
US8969348, [4-(Naphthalen-1-ylmethyl)-1-oxophthala
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Mol. Formula:
C21H16N2O3
M.W.:
344.37
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
72.19
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3691797 Name:
US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]
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Mol. Formula:
C21H19N3O3
M.W.:
361.40
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3691796 Name:
US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o
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Mol. Formula:
C20H17N3O3
M.W.:
347.37
Type:
Small molecule
AlogP:
2.56
Polar Surface Area:
77.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4546815 Name:
NA
Mol. Formula:
C73H96N14O20S2
M.W.:
1553.78
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4549498 Name:
(S)-3-((2S,3R)-2-((S)-2-aminohexanamido)-3-hydroxy
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Mol. Formula:
C29H38N6O10
M.W.:
630.66
Type:
Unknown
AlogP:
0.31
Polar Surface Area:
263.32
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4556207 Name:
NA
Mol. Formula:
C69H93N19O24S2
M.W.:
1636.75
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4561218 Name:
NA
Mol. Formula:
C71H102N18O19S2
M.W.:
1575.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4560112 Name:
NA
Mol. Formula:
C69H93ClN18O22S2
M.W.:
1626.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4554739 Name:
NA
Mol. Formula:
C69H93IN18O22S2
M.W.:
1717.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4520063 Name:
(S)-3-((2S,3R)-2-((S)-2-amino-3-phenylpropanamido)
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Mol. Formula:
C32H36N6O10
M.W.:
664.67
Type:
Unknown
AlogP:
0.36
Polar Surface Area:
263.32
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4593335 Name:
NA
Mol. Formula:
C70H99N15O19S2
M.W.:
1518.78
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4592765 Name:
NA
Mol. Formula:
C70H98N18O21S2
M.W.:
1591.79
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4590739 Name:
NA
Mol. Formula:
C68H93N17O23S2
M.W.:
1580.72
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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