Compounds

ALA4229284

Name:
5,7-Dimethyl-6-(naphthalen-1-ylthio)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diaminShow More⌵

Mol. Formula:
C18H17N5S

M.W.:
335.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
82.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4228488

Name:
7-Butyl-6-((3-methoxyphenyl)thio)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-Show More⌵

Mol. Formula:
C18H23N5OS

M.W.:
357.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4228228

Name:
6-((3-Methoxyphenyl)thio)-5-methyl-7-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4Show More⌵

Mol. Formula:
C17H21N5OS

M.W.:
343.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4227977

Name:
6-((3-Methoxyphenyl)thio)-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamShow More⌵

Mol. Formula:
C15H17N5OS

M.W.:
315.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4227384

Name:
7-Isopropyl-6-((3-methoxyphenyl)thio)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-Show More⌵

Mol. Formula:
C17H21N5OS

M.W.:
343.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4227373

Name:
5,7-Dimethyl-6-(naphthalen-2-ylthio)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diaminShow More⌵

Mol. Formula:
C18H17N5S

M.W.:
335.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
82.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4227124

Name:
7-Ethyl-6-((3-methoxyphenyl)thio)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-Show More⌵

Mol. Formula:
C16H19N5OS

M.W.:
329.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4227112

Name:
6-((2-Methoxyphenyl)thio)-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamShow More⌵

Mol. Formula:
C15H17N5OS

M.W.:
315.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4226849

Name:
6-((3,4-Difluorophenyl)thio)-5-methylthieno[2,3-d]pyrimidine-2,4-diamine

Mol. Formula:
C13H11F2N5S

M.W.:
307.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
93.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4226465

Name:
6-((4-Methoxyphenyl)thio)-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamShow More⌵

Mol. Formula:
C15H17N5OS

M.W.:
315.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4226262

Name:
6-((4-Trifluromethoxyphenyl)thio)-5-methylthieno[2,3-d]pyrimidine-2,4-diamiShow More⌵

Mol. Formula:
C14H12F3N5OS

M.W.:
355.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
102.84

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4225860

Name:
5,7-dimethyl-6-((4-(trifluoromethoxy)phenyl)thio)-7H-pyrrolo[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C15H14F3N5OS

M.W.:
369.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
91.98

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4225535

Name:
6-((3,4-Difluorophenyl)thio)-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dShow More⌵

Mol. Formula:
C14H13F2N5S

M.W.:
321.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
82.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS