Compounds

ALA3207912

Name:
SID47196069

Mol. Formula:
C27H25N3O5

M.W.:
471.51

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
91.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3199795

Name:
SID24791513

Mol. Formula:
C16H13Cl2N9O2S2

M.W.:
498.38

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
149.47

HBA:
12

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3196234

Name:
SID24811722

Mol. Formula:
C20H16BrN3O2

M.W.:
410.27

11 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3193508

Name:
SID17407958

Mol. Formula:
C22H18N2OS

M.W.:
358.47

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
32.67

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3143885

Name:
4-carbamoyl-4-(4-carboxy-2-{[(2S,3S)-1-({1-[(2S)-2-(2-{[(2S)-1-[(2S)-4-carbShow More⌵

Mol. Formula:
C78H96N14O23S

M.W.:
1629.77

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2372134

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

Mol. Formula:
C69H87N13O23S

M.W.:
1498.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2372133

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

Mol. Formula:
C69H87N13O23S

M.W.:
1498.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2372132

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

Mol. Formula:
C69H87N13O23S

M.W.:
1498.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2005553

Name:
SID24801541

Mol. Formula:
C22H18N4O

M.W.:
354.41

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
73.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2003518

Name:
SID49819815

Mol. Formula:
C21H18N8O4

M.W.:
446.43

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
155.57

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1946564

Name:
(S)-4-((S)-1-((S)-1-((S)-2-((2S,3R)-2-((2S,4R)-4-((E)-(9H-fluoren-2-yl)methShow More⌵

Mol. Formula:
C58H75N11O18

M.W.:
1214.30

2 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1946260

Name:
(S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-Show More⌵

Mol. Formula:
C59H75N11O22

M.W.:
1290.30

4 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1946259

Name:
(S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-Show More⌵

Mol. Formula:
C56H72N12O19S

M.W.:
1249.32

2 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1946129

Name:
(S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-Show More⌵

Mol. Formula:
C53H75N11O20

M.W.:
1186.24

2 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1736394

Name:
SID85272460

Mol. Formula:
C14H12N4O3

M.W.:
284.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
90.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1736247

Name:
SID85148991

Mol. Formula:
C23H24N2O4S

M.W.:
424.52

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
83.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1736042

Name:
SID49822505

Mol. Formula:
C18H20N2O4S3

M.W.:
424.57

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
74.76

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1735141

Name:
SID4261055

Mol. Formula:
C20H21N3O3

M.W.:
351.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA1734999

Name:
SID85269517

Mol. Formula:
C20H24ClN3O5S2

M.W.:
486.02

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
126.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1734383

Name:
SID93577322

Mol. Formula:
C18H14N2O2

M.W.:
290.32

19 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
65.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS