Compounds

ALA3190406

Name:
SID14730735

Mol. Formula:
C12H9ClF3N3O

M.W.:
303.67

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
61.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1735946

Name:
SID24798109

Mol. Formula:
C20H25F2N3O

M.W.:
361.44

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
41.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA1735920

Name:
SID24812852

Mol. Formula:
C17H19ClN4O

M.W.:
330.82

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA1728917

Name:
SID49676555

Mol. Formula:
C15H13BrN2OS

M.W.:
349.25

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1728420

Name:
SID26729455

Mol. Formula:
C14H14FN3O3

M.W.:
291.28

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

2-Amino-4-chloro-6-methylpyrimidine

Name:
SID22408996

Mol. Formula:
C5H6ClN3

M.W.:
143.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.02

Polar Surface Area:
51.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.55

DETAILS

ALA1720979

Name:
SID57263817

Mol. Formula:
C27H29F3N4O4

M.W.:
530.55

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
93.53

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1719517

Name:
SID24795863

Mol. Formula:
C17H15NO3

M.W.:
281.31

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1714965

Name:
SID85270889

Mol. Formula:
C21H20N2O5

M.W.:
380.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
97.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1712933

Name:
SID49648587

Mol. Formula:
C19H25N5O4S

M.W.:
419.51

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.17

Polar Surface Area:
95.17

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1704751

Name:
SID51086369

Mol. Formula:
C14H17N3O3S2

M.W.:
339.44

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
78.84

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA1703753

Name:
SID24707806

Mol. Formula:
C13H25ClN8O

M.W.:
344.85

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
-1.52

Polar Surface Area:
127.45

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1702047

Name:
SID49672023

Mol. Formula:
C13H15N3O3S

M.W.:
293.35

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.51

Polar Surface Area:
99.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1332386

Name:
SID14723981

Mol. Formula:
C11H10N2O2

M.W.:
202.21

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
53.88

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.46

DETAILS