Compounds

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ALA4091969
Name:
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(undecylamino)-2
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Mol. Formula:
C17H34N2O4
M.W.:
330.47

8 activity values

2 unique targets
Type:
Small molecule
AlogP:
0.96
Polar Surface Area:
105.31
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
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ALA4294263
Name:
(S,S,R)-N,N'-(1,1'-(dodecane-1,12-diyl)bis(1H-1,2,
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Mol. Formula:
C38H56N10O8
M.W.:
780.93

13 activity values

4 unique targets
Type:
Small molecule
AlogP:
1.87
Polar Surface Area:
250.88
HBA:
16
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
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ALA4289795
Name:
(R,S,S)-N,N'-(1,1'-(2,2'-(2,2'-oxybis(ethane-2,1-d
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Mol. Formula:
C34H48N10O11
M.W.:
772.82

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
-1.99
Polar Surface Area:
278.57
HBA:
19
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
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ALA4279110
Name:
(R,S,S)-N,N'-(1,1'-(3,6,9,12,15-pentaoxaheptadecan
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Mol. Formula:
C38H56N10O13
M.W.:
860.92

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
-1.95
Polar Surface Area:
297.03
HBA:
21
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
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ALA3907041
Name:
(5S,6S,7S,7aR)-5-Hydroxymethyl-3-[(9-phenylnonyl)i
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Mol. Formula:
C22H34N2O3S
M.W.:
406.59

11 activity values

4 unique targets
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
76.29
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
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ALA1922581
Name:
N-octyl-4-epi-beta-valienamine

Mol. Formula:
C15H29NO4
M.W.:
287.40

13 activity values

4 unique targets
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
92.95
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1922580
Name:
(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N
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Mol. Formula:
C15H30ClNO4
M.W.:
323.86

4 activity values

4 unique targets
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
92.95
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1922579
Name:
(1R,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N
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Mol. Formula:
C15H30ClNO4
M.W.:
323.86

14 activity values

7 unique targets
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
92.95
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE