Compounds

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ALA5279875
Name:
(3S)-4-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[Show More⌵
Mol. Formula:
C211H336N46O47S2
M.W.:
4333.42

Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5278937
Name:
(2R,3R,4R,5S)-2-((1R)-2-amino-1-((3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidShow More⌵
Mol. Formula:
C23H31N5O12S
M.W.:
601.59

Type:
---
AlogP:
-4.62
Polar Surface Area:
253.76
HBA:
14
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5284675
Name:
(2S,6S,9S,16S)-16-(2-((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)Show More⌵
Mol. Formula:
C33H54N10O13
M.W.:
798.85

Type:
---
AlogP:
-4.35
Polar Surface Area:
358.65
HBA:
14
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5282738
Name:
(2R,3R,4R,5S)-N-(2-((2-acetamidoethyl)disulfaneyl)ethyl)-2-((1R)-2-amino-1-Show More⌵
Mol. Formula:
C24H35N5O12S2
M.W.:
649.70

Type:
---
AlogP:
-3.07
Polar Surface Area:
242.76
HBA:
15
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5288698
Name:
(2S)-2-[[(1S)-2-[[(1S,2S)-1-[3-[[(1S)-1-carboxy-2-[(2R,3S,4R,5R)-5-(2,4-dioShow More⌵
Mol. Formula:
C32H52N10O13
M.W.:
784.83

Type:
---
AlogP:
-4.74
Polar Surface Area:
358.65
HBA:
14
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA3326994
Name:
2-(2,7-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Mol. Formula:
C20H10Br2O5
M.W.:
490.10
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
5.49
Polar Surface Area:
87.74
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE