Compounds

ALA4593371

Name:
2-[[2-[[2-[4-[[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1,1-diShow More⌵

Mol. Formula:
C33H38F9N5O9S2

M.W.:
883.81

13 activity values

4 unique targets

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
140.48

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4584732

Name:
(R)-4-((1,1-dioxido-4-(6-((12-oxo-12-(((2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyShow More⌵

Mol. Formula:
C42H58F6N4O12S2

M.W.:
989.06

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
241.63

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4533178

Name:
(R)-4-((1,1-dioxido-4-(6-(2-oxo-2-(((2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexShow More⌵

Mol. Formula:
C32H38F6N4O12S2

M.W.:
848.79

7 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.88

Polar Surface Area:
241.63

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4532312

Name:
(R)-4-((1,1-dioxido-4-(6-((6-oxo-6-(((2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyheShow More⌵

Mol. Formula:
C36H46F6N4O12S2

M.W.:
904.90

7 activity values

3 unique targets

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
241.63

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4463027

Name:
(R)-4-((1,1-Dioxido-4-(6-(2-oxo-2-((2-sulfethyl)amino)-ethoxy)benzo[d]thiazShow More⌵

Mol. Formula:
C28H30F6N4O10S3

M.W.:
792.76

22 activity values

8 unique targets

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
194.85

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4452661

Name:
(R)-4-((1,1-dioxido-4-(6-((6-oxo-6-((2-sulfoethyl)amino)hexyl)oxy)benzo[d]tShow More⌵

Mol. Formula:
C32H38F6N4O10S3

M.W.:
848.86

7 activity values

3 unique targets

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
194.85

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4445546

Name:
(R)-4-((1,1-dioxido-4-(6-((12-oxo-12-((2-sulfoethyl)amino)dodecyl)oxy)benzoShow More⌵

Mol. Formula:
C38H50F6N4O10S3

M.W.:
933.02

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
194.85

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4443285

Name:
(R)-4-((1,1-dioxido-4-(6-((6-oxo-6-((2-(trimethylammonio)ethyl)amino)hexyl)Show More⌵

Mol. Formula:
C37H46F9N5O9S2

M.W.:
939.92

7 activity values

3 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
140.48

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4442618

Name:
(R)-4-((1,1-dioxido-4-(6-((12-oxo-12-((2-(trimethylammonio)ethyl)amino)dodeShow More⌵

Mol. Formula:
C43H58F9N5O9S2

M.W.:
1024.08

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.30

Polar Surface Area:
140.48

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA456419

Name:
(2R,4R)-4-fluoro-1-(2-(4-methyl-1-(methylsulfonyl)piperidin-4-ylamino)acetyShow More⌵

Mol. Formula:
C14H23FN4O3S

M.W.:
346.43

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.15

Polar Surface Area:
93.51

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA380860

Name:
[1-(S)-1-cyclohexyl-2-oxo-(3,3,4,4,tetrafluoropyrrolidin-1-yl)ethyl]amine

Mol. Formula:
C12H18F4N2O

M.W.:
282.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
46.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS