Compounds

ALA4879331

Name:
(1S,3S)-3-amino-N-((S)-1-(((S)-1-(((S)-6-guanidino-1-((2-((4-morpholinophenShow More⌵

Mol. Formula:
C53H67N11O8

M.W.:
986.19

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
291.14

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4878061

Name:
(4S,7R,10S,13R,20S,23R,26R,29R)-10-((1H-indol-3-yl)methyl)-29-((S)-2-((R)-1Show More⌵

Mol. Formula:
C63H87N17O16S2

M.W.:
1402.63

7 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4876759

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(5-hydroShow More⌵

Mol. Formula:
C37H47N9O5

M.W.:
697.84

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4876097

Name:
(1R,3R)-N-((S)-1-(((S)-3-([1,1'-biphenyl]-4-yl)-1-(((S)-1-amino-6-guanidinoShow More⌵

Mol. Formula:
C39H49N9O5

M.W.:
723.88

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4874658

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(5-hydroShow More⌵

Mol. Formula:
C36H45N7O5

M.W.:
655.80

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
218.45

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4872754

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(5-hydroShow More⌵

Mol. Formula:
C50H63N11O7

M.W.:
930.12

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
281.91

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4872516

Name:
(R)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(1H-indoShow More⌵

Mol. Formula:
C37H47N9O4

M.W.:
681.84

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
234.10

HBA:
6

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4870758

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(6-methoShow More⌵

Mol. Formula:
C38H49N9O5

M.W.:
711.87

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
243.33

HBA:
7

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4870730

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(5-methoShow More⌵

Mol. Formula:
C38H49N9O5

M.W.:
711.87

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
243.33

HBA:
7

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4870110

Name:
(S)-2-((S)-2-((S)-2-(4-aminobutanamido)-3-(5-hydroxy-1H-indol-3-yl)propanamShow More⌵

Mol. Formula:
C38H49N9O5

M.W.:
711.87

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4870085

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(1H-indoShow More⌵

Mol. Formula:
C37H47N9O4

M.W.:
681.84

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
234.10

HBA:
6

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4869742

Name:
(1R,3R)-N-((S)-1-(((S)-3-([1,1'-biphenyl]-4-yl)-1-(((S)-1-amino-6-guanidinoShow More⌵

Mol. Formula:
C40H51N9O5

M.W.:
737.91

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4869466

Name:
(S)-2-((S)-2-((S)-2-(4-aminobutanamido)-3-(5-hydroxy-1H-indol-3-yl)propanamShow More⌵

Mol. Formula:
C38H49N9O6

M.W.:
727.87

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
263.56

HBA:
8

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4868727

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-aminopropanamido)-3-(1HShow More⌵

Mol. Formula:
C36H45N9O4

M.W.:
667.81

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
234.10

HBA:
6

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4866293

Name:
(1S,3S)-N-((S)-1-(((S)-3-([1,1'-biphenyl]-4-yl)-1-(((S)-1-amino-6-guanidinoShow More⌵

Mol. Formula:
C40H51N9O5

M.W.:
737.91

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4865344

Name:
(S)-2-((S)-2-((S)-2-(4-aminobutanamido)-3-(5-hydroxy-1H-indol-3-yl)propanamShow More⌵

Mol. Formula:
C35H45N9O5

M.W.:
671.80

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4865286

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(4-aminobutanamido)-3-(1H-pyrrShow More⌵

Mol. Formula:
C36H46N10O4

M.W.:
682.83

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
246.99

HBA:
7

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4865183

Name:
(1S,3S)-N-((S)-1-(((S)-3-([1,1'-biphenyl]-4-yl)-1-(((S)-6-guanidino-1-((2-(Show More⌵

Mol. Formula:
C52H65N11O7

M.W.:
956.16

13 activity values

6 unique targets

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
281.91

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4864648

Name:
(S)-2-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-(3-aminopropanamido)-3-(1H-indShow More⌵

Mol. Formula:
C36H45N9O4

M.W.:
667.81

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
234.10

HBA:
6

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4863427

Name:
(1S,3S)-N-((S)-1-(((S)-3-([1,1'-biphenyl]-4-yl)-1-(((S)-1-amino-6-guanidinoShow More⌵

Mol. Formula:
C39H49N9O5

M.W.:
723.88

4 activity values

1 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
254.33

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS