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ALA4087754 Name:
NA
Mol. Formula:
C136H207N43O43S5
M.W.:
3292.74
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4071405 Name:
NA
Mol. Formula:
C102H152N32O31S4
M.W.:
2450.80
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4081816 Name:
NA
Mol. Formula:
C141H201N33O42S4
M.W.:
3158.62
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4065228 Name:
NA
Mol. Formula:
C157H244N48O49S5
M.W.:
3748.30
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4064951 Name:
NA
Mol. Formula:
C105H157N33O32S5
M.W.:
2553.94
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4786107 Name:
11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiaz
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Mol. Formula:
C33H48N4O6S
M.W.:
628.84
Type:
Unknown
AlogP:
4.82
Polar Surface Area:
148.93
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4214593 Name:
(6S,9S,12R,15R,18S,24S,27S,33S,39R,42R)-27-((1H-im
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Mol. Formula:
C103H159N33O32S6
M.W.:
2564.01
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4204734 Name:
(2R,5R,11S,17S,20S,26S,29R,32R,35S,38S,44S,47S,50R
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Mol. Formula:
C99H155N33O32S6
M.W.:
2511.93
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4202924 Name:
(6S,9S,12R,15R,18S,24S,27S,33S,39R,42R)-27-((1H-im
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Mol. Formula:
C103H159N33O32S6
M.W.:
2564.01
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4175749 Name:
(S)-2-((3R,6R,9S,12R)-6-((1H-indol-3-yl)methyl)-3,
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Mol. Formula:
C51H62N8O5
M.W.:
867.11
Type:
Small molecule
AlogP:
5.25
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4172341 Name:
(S)-2-((3R,6R,9S,12R)-12-((1H-indol-3-yl)methyl)-3
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Mol. Formula:
C51H62N8O5
M.W.:
867.11
Type:
Small molecule
AlogP:
5.25
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4171911 Name:
(S)-2-((3R,6R,9S,12R)-6,12-bis((1H-indol-3-yl)meth
Show More⌵
Mol. Formula:
C47H54N8O5
M.W.:
811.00
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
203.10
HBA:
6
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4168560 Name:
(S)-2-((3R,6R,9S,12R)-6-((1H-indol-3-yl)methyl)-3,
Show More⌵
Mol. Formula:
C48H56N8O5
M.W.:
825.03
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4167069 Name:
(S)-2-((3R,6R,9S,12R)-3,9-dibenzyl-6,12-bis((1-but
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Mol. Formula:
C55H70N8O5
M.W.:
923.22
Type:
Small molecule
AlogP:
6.53
Polar Surface Area:
181.38
HBA:
8
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4165141 Name:
(S)-2-((3R,6R,9S,12R)-6-((1H-indol-3-yl)methyl)-3,
Show More⌵
Mol. Formula:
C50H60N8O5
M.W.:
853.08
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4164039 Name:
(S)-2-((3R,6R,9S,12R)-6-((1H-indol-3-yl)methyl)-3,
Show More⌵
Mol. Formula:
C52H62N8O5
M.W.:
879.12
Type:
Small molecule
AlogP:
5.37
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4161710 Name:
(S)-2-((3R,6R,9S,12R)-6-((1H-indol-3-yl)methyl)-3,
Show More⌵
Mol. Formula:
C52H64N8O5
M.W.:
881.13
Type:
Small molecule
AlogP:
5.64
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4160638 Name:
(S)-2-((3R,6R,9S,12R)-6-((1H-indol-3-yl)methyl)-3,
Show More⌵
Mol. Formula:
C49H58N8O5
M.W.:
839.05
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
192.24
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4159158 Name:
(3R,6R,9S,12R,15S)-6-((1H-indol-3-yl)methyl)-3,9-d
Show More⌵
Mol. Formula:
C51H61N7O6
M.W.:
868.09
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
186.45
HBA:
7
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA2041691 Name:
5'-deoxy-5-fluoro-N4-(4-chloro-phenyloxycarbonyl)c
Show More⌵
Mol. Formula:
C17H13ClFN3O7
M.W.:
425.76
Type:
Small molecule
AlogP:
2.47
Polar Surface Area:
117.98
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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