Compounds

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
146.34

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1736903

Name:
SID56323282

Mol. Formula:
C25H25NO5S

M.W.:
451.54

4 activity values

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1735225

Name:
SID49640641

Mol. Formula:
C16H22O4

M.W.:
278.35

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1728120

Name:
SID49721065

Mol. Formula:
C24H24FN3O2

M.W.:
405.47

13 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
54.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1726052

Name:
SID49648494

Mol. Formula:
C20H16BrClN2OS

M.W.:
447.79

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
34.48

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1723343

Name:
SID49681561

Mol. Formula:
C23H27N3O7

M.W.:
457.48

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
37.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1720812

Name:
SID49648656

Mol. Formula:
C23H20BrClN2O5

M.W.:
519.78

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
76.15

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1720297

Name:
SID49821083

Mol. Formula:
C20H21NO5S

M.W.:
387.46

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1714722

Name:
SID49728108

Mol. Formula:
C17H18N6O3S2

M.W.:
418.50

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
111.03

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1710673

Name:
SID49648800

Mol. Formula:
C29H24O4

M.W.:
436.51

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
7.46

Polar Surface Area:
40.83

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1709692

Name:
SID49825129

Mol. Formula:
C22H22FNO4S

M.W.:
415.49

13 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
67.59

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1699711

Name:
SID49816019

Mol. Formula:
C20H21FN4O3

M.W.:
384.41

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
90.54

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1429210

Name:
SID49817180

Mol. Formula:
C22H24N4O4

M.W.:
408.46

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
105.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1412977

Name:
SID49715404

Mol. Formula:
C26H24N4O4

M.W.:
456.50

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
93.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1253600

Name:
(2S,5S,8S,11R,14S,17S,20S,23S,26S,31S)-14,20,26-tris(4-aminobutyl)-11-((4-(Show More⌵

Mol. Formula:
C108H165N21O30S3

M.W.:
2333.83

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1253599

Name:
(3S,6S,9S,12S,15S,18R,21S,24S,27S)-3,9,15-tris(4-aminobutyl)-1-(2-aminophenShow More⌵

Mol. Formula:
C73H118N16O17S2

M.W.:
1555.98

7 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1253598

Name:
(3S,6S,9S,12S,15S,18R,21S,24S,27S)-3,9,15-tris(4-aminobutyl)-1-(2-aminophenShow More⌵

Mol. Formula:
C77H112N16O19S2

M.W.:
1629.97

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1224705

Name:
(S)-3-((S)-2-(benzyloxycarbonylamino)-3-phenylpropanamido)-2-oxobutyl benzoShow More⌵

Mol. Formula:
C28H28N2O6

M.W.:
488.54

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1224704

Name:
(S)-6-amino-2-((S)-2-(benzyloxycarbonylamino)-3-phenylpropanamido)hexanoic Show More⌵

Mol. Formula:
C23H29N3O5

M.W.:
427.50

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
130.75

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1224703

Name:
[(S)-5-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-7-bromo-6-oxoShow More⌵

Mol. Formula:
C29H38BrN3O6

M.W.:
604.54