Compounds

ALA3207459

Name:
SID47194795

Mol. Formula:
C10H11N5O2

M.W.:
233.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
91.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3193117

Name:
SID17387533

Mol. Formula:
C18H19N3O5

M.W.:
357.37

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
102.16

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3190735

Name:
SID49726062

Mol. Formula:
C15H14IN3O3

M.W.:
411.20

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
63.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2007076

Name:
SID134415567

Mol. Formula:
C14H11BrN4O

M.W.:
331.17

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2004013

Name:
SID134225027

Mol. Formula:
C19H17N3OS2

M.W.:
367.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
39.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2000516

Name:
SID134225026

Mol. Formula:
C15H18N4OS

M.W.:
302.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
52.19

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1998026

Name:
SID134225031

Mol. Formula:
C14H16N4S2

M.W.:
304.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
43.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1995718

Name:
SID134225029

Mol. Formula:
C13H14N4OS

M.W.:
274.35

20 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
52.19

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1994962

Name:
SID134225023

Mol. Formula:
C16H15BrN4O

M.W.:
359.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1994044

Name:
SID134415571

Mol. Formula:
C14H16N4S2

M.W.:
304.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
43.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1993880

Name:
SID134225028

Mol. Formula:
C13H12N4OS2

M.W.:
304.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
73.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1976824

Name:
SID134415566

Cas Number:
378211-85-9

Mol. Formula:
C7H5N3O2

M.W.:
163.14

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.43

Polar Surface Area:
67.49

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1975596

Name:
SID134415570

Mol. Formula:
C15H18N4S2

M.W.:
318.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
43.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1973673

Name:
SID134415565

Cas Number:
869949-97-3

Mol. Formula:
C11H7N3O2S

M.W.:
245.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
67.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1964953

Name:
SID134225021

Mol. Formula:
C15H13BrN4O

M.W.:
345.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
50.50

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1735090

Name:
SID24811263

Mol. Formula:
C19H21IN2O2

M.W.:
436.29

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
35.11

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1734899

Name:
SID49644560

Mol. Formula:
C15H17IN2O

M.W.:
368.22

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
32.98

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA1734181

Name:
SID85269683

Cas Number:
879156-10-2

Mol. Formula:
C16H22N6O3

M.W.:
346.39

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
126.97

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1733996

Name:
SID49644715

Mol. Formula:
C16H28IN3O4S

M.W.:
485.39

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
79.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1732805

Name:
SID49673474

Mol. Formula:
C17H19ClN2O2

M.W.:
318.80

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
50.05

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS