Compounds

Type:
---

AlogP:
4.62

Polar Surface Area:
220.51

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5207031

Name:
(S)-1-Benzoyl-N-((S)-1-(((S)-1-(((S)-3-cyclopentyl-1-oxo-1-(((S)-1-(7-phenyShow More⌵

Mol. Formula:
C44H56N8O5

M.W.:
776.98

7 activity values

Type:
---

AlogP:
4.62

Polar Surface Area:
177.42

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5206253

Name:
(S)-1-(Acetyl-L-leucyl)-N-((S)-1-(((S)-3-amino-1-(((S)-3-cyclopentyl-1-oxo-Show More⌵

Mol. Formula:
C44H63N9O6

M.W.:
814.04

Type:
---

AlogP:
3.60

Polar Surface Area:
220.51

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5203898

Name:
(S)-1-(Acetyl-L-leucyl)-N-((S)-1-(((S)-3-amino-1-(((S)-3-cyclopentyl-1-oxo-Show More⌵

Mol. Formula:
C46H65N9O6

M.W.:
840.08

Type:
---

AlogP:
4.08

Polar Surface Area:
211.72

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5199592

Name:
(S)-1-(Acetyl-L-leucyl)-N-((S)-1-(((S)-3-amino-1-(((S)-3-cyclopentyl-1-(((SShow More⌵

Mol. Formula:
C47H69N9O6

M.W.:
856.13

Type:
---

AlogP:
4.62

Polar Surface Area:
220.51

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5198951

Name:
(S)-N-((S)-1-(((S)-1-(((S)-3-Cyclopentyl-1-oxo-1-(((S)-1-(7-phenyl-1H-benzoShow More⌵

Mol. Formula:
C43H62N8O5

M.W.:
771.02

68 activity values

9 unique targets

Type:
---

AlogP:
4.74

Polar Surface Area:
177.42

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5197715

Name:
(S)-1-(Acetyl-L-leucyl)-N-((S)-1-(((S)-3-amino-1-(((S)-3-cyclopentyl-1-oxo-Show More⌵

Mol. Formula:
C50H67N9O6

M.W.:
890.14

Type:
---

AlogP:
4.82

Polar Surface Area:
220.51

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5190103

Name:
(S)-1-(Acetyl-L-leucyl)-N-((S)-1-(((S)-3-amino-1-(((S)-3-cyclopentyl-1-(((SShow More⌵

Mol. Formula:
C46H67N9O6

M.W.:
842.10

Type:
---

AlogP:
4.23

Polar Surface Area:
220.51

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5187921

Name:
(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-acetamido-4-Show More⌵

Mol. Formula:
C41H72N8O9

M.W.:
821.07

2 activity values

2 unique targets

Type:
---

AlogP:
0.68

Polar Surface Area:
226.66

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5187149

Name:
(S)-N-((S)-1-(((S)-3-Amino-1-(((S)-3-cyclopentyl-1-oxo-1-(((S)-1-(7-phenyl-Show More⌵

Mol. Formula:
C42H60N8O5

M.W.:
756.99

14 activity values

8 unique targets

Type:
---

AlogP:
4.48

Polar Surface Area:
191.41

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5184570

Name:
(S)-N-((S)-1-(((S)-3-Amino-1-(((S)-3-cyclopentyl-1-oxo-1-(((S)-1-(7-phenyl-Show More⌵

Mol. Formula:
C43H54N8O5

M.W.:
762.96

7 activity values

Type:
---

AlogP:
4.36

Polar Surface Area:
191.41

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4850575

Name:
benzyl (7R,10S,13S,16S)-7-((S)-1-amino-6-(oxazole-5-carboxamido)-1-oxohexanShow More⌵

Mol. Formula:
C37H55N11O10

M.W.:
813.91

3 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.23

Polar Surface Area:
321.09

HBA:
12

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4848627

Name:
benzyl (7R,10S,13S,16S)-10-((4S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-25-(3-Show More⌵

Mol. Formula:
C106H180N44O24

M.W.:
2454.89

3 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4218308

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((S)-1-((S)-1-((2S,3S)-1-((S)-2Show More⌵

Mol. Formula:
C44H70N8O9

M.W.:
855.09

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
226.66

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4217882

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((2S,3S)-1-((S)-1-((S)-1-((S)-2Show More⌵

Mol. Formula:
C46H71N9O9

M.W.:
894.13

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
242.45

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4217790

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((2S,3S)-1-((S)-1-((S)-1-((S)-2Show More⌵

Mol. Formula:
C41H72N8O9

M.W.:
821.07

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
226.66

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4216933

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((S)-1-((S)-3-amino-1-((S)-3-cyShow More⌵

Mol. Formula:
C44H67N9O6

M.W.:
818.08

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
200.86

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4216416

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((2S,3S)-1-((S)-3-amino-1-((S)-Show More⌵

Mol. Formula:
C43H75N9O8

M.W.:
846.13

15 activity values

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
232.45

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4216206

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((2S,3S)-1-((S)-1-((2S,3S)-1-((Show More⌵

Mol. Formula:
C41H72N8O9

M.W.:
821.07

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
226.66

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4216170

Name:
(S)-1-((S)-2-acetamido-4-methylpentanoyl)-N-((S)-1-((S)-3-amino-1-((S)-3-cyShow More⌵

Mol. Formula:
C45H69N9O6

M.W.:
832.10