Compounds

ALA5093892

Name:
(S)-2-acetamido-N-((3S,6S,9S,12R,15S,22S,27aS)-15-(3-guanidinopropyl)-3-isoShow More⌵

Mol. Formula:
C43H68N12O9

M.W.:
897.09

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.70

Polar Surface Area:
315.01

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5093227

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamidoShow More⌵

Mol. Formula:
C44H74N12O9

M.W.:
915.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.93

Polar Surface Area:
346.15

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5092578

Name:
(3S,6S,9S,12S,15S)-1-((S)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-6-Show More⌵

Mol. Formula:
C45H74N12O10

M.W.:
943.16

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.00

Polar Surface Area:
349.23

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5092461

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-6-Show More⌵

Mol. Formula:
C44H72N12O11

M.W.:
945.13

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.42

Polar Surface Area:
369.46

HBA:
12

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA5092449

Name:
(S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-phenylpropanShow More⌵

Mol. Formula:
C43H69N11O9

M.W.:
884.09

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.56

Polar Surface Area:
311.34

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5087896

Name:
(S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamido)hexanoyl)-N-((6S,9R,1Show More⌵

Mol. Formula:
C41H69N13O8

M.W.:
872.09

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.56

Polar Surface Area:
351.94

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5087237

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-6-Show More⌵

Mol. Formula:
C45H74N12O10

M.W.:
943.16

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.15

Polar Surface Area:
349.23

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5085743

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-6-Show More⌵

Mol. Formula:
C49H74N12O10

M.W.:
991.20

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.56

Polar Surface Area:
349.23

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5085196

Name:
(S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-6-amino-2-((S)-2-amino-3-phenShow More⌵

Mol. Formula:
C44H74N12O9

M.W.:
915.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.93

Polar Surface Area:
346.15

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5083558

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-6-amino-2-((S)-2-aminopropanamido)hexanoylShow More⌵

Mol. Formula:
C38H70N12O9

M.W.:
839.05

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.16

Polar Surface Area:
346.15

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5082686

Name:
(3S,6S,9R,12S,15S)-1-((S)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-6-Show More⌵

Mol. Formula:
C46H76N12O10

M.W.:
957.19

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.76

Polar Surface Area:
349.23

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5081621

Name:
(S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenShow More⌵

Mol. Formula:
C43H70N12O9

M.W.:
899.11

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.47

Polar Surface Area:
337.36

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5081287

Name:
(S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-aminopropanaShow More⌵

Mol. Formula:
C40H72N12O9

M.W.:
865.09

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.67

Polar Surface Area:
337.36

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5080381

Name:
(3S,6S,9S,12S,15S)-1-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamidoShow More⌵

Mol. Formula:
C41H68N12O9

M.W.:
873.07

5 activity values

4 unique targets

Type:
Unknown

AlogP:
-1.96

Polar Surface Area:
346.15

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5080234

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamidoShow More⌵

Mol. Formula:
C42H70N12O10

M.W.:
903.10

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.60

Polar Surface Area:
366.38

HBA:
12

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA5080181

Name:
(S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenShow More⌵

Mol. Formula:
C46H76N12O9

M.W.:
941.19

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.45

Polar Surface Area:
337.36

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5079833

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamidoShow More⌵

Mol. Formula:
C39H64N12O10

M.W.:
861.01

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-3.63

Polar Surface Area:
366.38

HBA:
12

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5078171

Name:
(S)-2-((R)-2-((S)-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenShow More⌵

Mol. Formula:
C43H70N12O9

M.W.:
899.11

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-1.47

Polar Surface Area:
337.36

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5076900

Name:
(3S,6S,9S,12R,15S)-1-((S)-1-((S)-2-((S)-2-amino-3-phenylpropanamido)-5-guanShow More⌵

Mol. Formula:
C42H70N14O10

M.W.:
931.11

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-3.47

Polar Surface Area:
402.26

HBA:
12

HBD:
15

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4592883

Name:
(5-Benzhydryl-3-bromothiophene-2-carbonyl)-L-arginine

Mol. Formula:
C24H25BrN4O3S

M.W.:
529.46

5 activity values

1 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
128.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS