Compounds

ALA4797606

Name:
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenoxy)pyrazin-2-amine

Mol. Formula:
C16H19Cl2N5O

M.W.:
368.27

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
90.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4795635

Name:
3-(3-amino-2-chlorophenylthio)-6-(4-(aminomethyl)-4-methylpiperidin-1-yl)pyShow More⌵

Mol. Formula:
C17H23ClN6S

M.W.:
378.93

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
107.08

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4789106

Name:
6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2,3-dichlorophenyl)thio)pyraShow More⌵

Mol. Formula:
C17H21Cl2N5S

M.W.:
398.36

32 activity values

9 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
81.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4784611

Name:
3-((2-amino-3-chloropyridin-4-yl)thio)-6-(4-(aminomethyl)-4-methylpiperidinShow More⌵

Mol. Formula:
C16H22ClN7S

M.W.:
379.92

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
119.97

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4778151

Name:
(S)-8-(6-amino-5-(2-(trifluoromethyl)pyridin-3-ylthio)pyrazin-2-yl)-8-azaspShow More⌵

Mol. Formula:
C19H23F3N6S

M.W.:
424.50

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4763856

Name:
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorobenzyl)pyrazin-2-amine

Mol. Formula:
C17H21Cl2N5

M.W.:
366.30

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4763213

Name:
(R)-8-(5-((2-amino-3-chloropyridin-4-yl)thio)pyrazin-2-yl)-8-azaspiro[4.5]dShow More⌵

Mol. Formula:
C18H23ClN6S

M.W.:
390.94

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4762625

Name:
6-(4-amino-4-methylpiperidin-1-yl)-3-((2,3-dichlorophenyl)thio)pyrazin-2-amShow More⌵

Mol. Formula:
C16H19Cl2N5S

M.W.:
384.34

13 activity values

5 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
81.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4756767

Name:
6-(4-amino-4-methylpiperidin-1-yl)-3-(2-(trifluoromethyl)pyridin-3-ylthio)pShow More⌵

Mol. Formula:
C16H19F3N6S

M.W.:
384.43

8 activity values

4 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4755819

Name:
(R)-8-(6-amino-5-(2-(trifluoromethyl)pyridin-3-ylthio)pyrazin-2-yl)-8-azaspShow More⌵

Mol. Formula:
C19H23F3N6S

M.W.:
424.50

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4754023

Name:
6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-Show More⌵

Mol. Formula:
C17H21Cl2N5

M.W.:
366.30

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4750422

Name:
6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(trifluoromethyl)pyridin-3Show More⌵

Mol. Formula:
C17H21F3N6S

M.W.:
398.46

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4747789

Name:
(R)-8-(6-amino-5-((2-amino-3-chloropyridin-4-yl)thio)pyrazin-2-yl)-8-azaspiShow More⌵

Mol. Formula:
C18H24ClN7S

M.W.:
405.96

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
119.97

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4743002

Name:
(3R,4S)-8-(6-amino-5-((2-amino-3-chloropyridin-4-yl)thio)pyrazin-2-yl)-3-meShow More⌵

Mol. Formula:
C18H24ClN7OS

M.W.:
421.96

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
129.20

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4740294

Name:
(S)-8-(6-amino-5-(2-amino-3-chloropyridin-4-ylthio)pyrazin-2-yl)-2-oxa-8-azShow More⌵

Mol. Formula:
C17H22ClN7OS

M.W.:
407.93

7 activity values

4 unique targets

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
129.20

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

TNO155

Name:
BATOPROTAFIB

Mol. Formula:
C18H24ClN7OS

M.W.:
421.96

106 activity values

26 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
129.20

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4546378

Name:
6-Amino-2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-((2,Show More⌵

Mol. Formula:
C20H25Cl2N5O2S

M.W.:
470.43

16 activity values

9 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
99.40

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4533113

Name:
6-amino-2-(4-(aminomethyl)-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenylthiShow More⌵

Mol. Formula:
C18H23Cl2N5OS

M.W.:
428.39

6 activity values

5 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
90.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4523033

Name:
2-(4-(aminomethyl)-4-methylpiperidin-1-yl)-5-((2-(trifluoromethyl)pyridin-3Show More⌵

Mol. Formula:
C17H20F3N5OS

M.W.:
399.44

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
87.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

SHP394

Name:
6-Amino-2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-methShow More⌵

Mol. Formula:
C20H25F3N6O2S

M.W.:
470.52

23 activity values

7 unique targets

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
112.29

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS