Compounds

ALA2337850

Name:
(S)-2-amino-N-((S)-1-((S)-1-(benzylamino)-3-((R)-3-hydroxy-2-oxoindolin-3-yShow More⌵

Mol. Formula:
C37H39N5O6

M.W.:
649.75

18 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
171.88

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2337849

Name:
tert-butyl(S)-1-((S)-1-((S)-1-(benzylamino)-3-((R)-3-hydroxy-2-oxoindolin-3Show More⌵

Mol. Formula:
C42H47N5O8

M.W.:
749.87

25 activity values

16 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
184.19

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA209258

Name:
(S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-2-((S)-2-((2S,3R)-2-dodecanamido-3-hydShow More⌵

Mol. Formula:
C49H77N7O11

M.W.:
940.19

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
298.61

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
33

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA426505

Name:
TVSYKF

Mol. Formula:
C36H53N7O10

M.W.:
743.86

3 activity values

3 unique targets

Type:
Protein

AlogP:
-1.83

Polar Surface Area:
295.53

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA279186

Name:
(S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino)-3-((S)-2-((2S,3R)-3-hydShow More⌵

Mol. Formula:
C54H84N6O13

M.W.:
1025.29

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA378000

Name:
(S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-2-((S)-2-((2S,3R)-2-decanamido-3-hydroShow More⌵

Mol. Formula:
C47H73N7O11

M.W.:
912.14

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
298.61

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA437116

Name:
TVTYDY

Mol. Formula:
C35H48N6O13

M.W.:
760.80

3 activity values

3 unique targets

Type:
Protein

AlogP:
-2.39

Polar Surface Area:
327.04

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA210501

Name:
TVTYKL

Mol. Formula:
C34H57N7O10

M.W.:
723.87

3 activity values

3 unique targets

Type:
Protein

AlogP:
-1.64

Polar Surface Area:
295.53

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA379316

Name:
(S)-2-{(S)-4-Carboxy-2-[(S)-3-(4-hydroxy-phenyl)-2-octanoylamino-propionylaShow More⌵

Mol. Formula:
C28H43N3O8

M.W.:
549.67

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
182.13

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA267439

Name:
(S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino)-3-((S)-2-((2S,3R)-3-hydShow More⌵

Mol. Formula:
C52H80N6O13

M.W.:
997.24

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
309.89

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
36

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA209196

Name:
(S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino)-3-((S)-2-((2S,3R)-3-hydShow More⌵

Mol. Formula:
C50H76N6O13

M.W.:
969.19

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
309.89

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
34

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA208689

Name:
(S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-3-hydroxy-2-((S)-2-((2S,3R)-3-hydroxy-Show More⌵

Mol. Formula:
C45H69N7O11

M.W.:
884.08

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
298.61

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA209290

Name:
(S)-2-{(S)-4-Carboxy-2-[(S)-2-hexanoylamino-3-(4-hydroxy-phenyl)-propionylaShow More⌵

Mol. Formula:
C26H39N3O8

M.W.:
521.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
182.13

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA210871

Name:
Pam-YDL

Mol. Formula:
C35H57N3O8

M.W.:
647.85

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
182.13

HBA:
6

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA380055

Name:
TVTYKY

Mol. Formula:
C37H55N7O11

M.W.:
773.88

3 activity values

3 unique targets

Type:
Protein

AlogP:
-1.73

Polar Surface Area:
315.76

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA442473

Name:
(S)-2-((S)-6-amino-2-((S)-2-((2S,3R)-3-hydroxy-2-((S)-2-((2S,3R)-3-hydroxy-Show More⌵

Mol. Formula:
C53H85N7O11

M.W.:
996.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
298.61

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
37

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA208805

Name:
(S)-2-{(S)-4-carboxy-2-[(S)-2-decanoylamino-3-(4-hydroxy-phenyl)-propionylaShow More⌵

Mol. Formula:
C30H47N3O8

M.W.:
577.72

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
182.13

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

2-Aminohexadecanoic acid

Name:
2-aminohexadecanoic acid

Mol. Formula:
C16H33NO2

M.W.:
271.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA380390

Name:
pAM-FKF

Mol. Formula:
C40H62N4O5

M.W.:
678.96

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
150.62

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA379309

Name:
(S)-4-((S)-1-carboxy-2-(4-hydroxyphenyl)ethylamino)-3-((S)-2-((2S,3R)-3-hydShow More⌵

Mol. Formula:
C44H64N6O13

M.W.:
885.02

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.81

Polar Surface Area:
309.89

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.05

DETAILS