Compounds

ALA4103070

Name:
4-chloro-2-(cyclopentylmethyl)-3-((4-isopropylpiperazin-1-yl)methyl)-1H-pyrShow More⌵

Mol. Formula:
C21H31ClN4

M.W.:
374.96

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4102862

Name:
4-chloro-2-(cyclohexylmethyl)-3-(morpholinomethyl)-1H-pyrrolo[3,2-c]pyridinShow More⌵

Mol. Formula:
C19H26ClN3O

M.W.:
347.89

18 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
41.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4102129

Name:
N-benzyl-N-((4-chloro-2-(cyclohexylmethyl)-1H-pyrrolo[3,2-c]pyridin-3-yl)meShow More⌵

Mol. Formula:
C24H30ClN3

M.W.:
395.98

18 activity values

12 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4098612

Name:
4-chloro-2-(cyclohexylmethyl)-3-((4-methylpiperazin-1-yl)methyl)-1H-pyrroloShow More⌵

Mol. Formula:
C20H29ClN4

M.W.:
360.93

18 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4086650

Name:
1-((4-chloro-2-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl)methyl)piperidin-4-ol

Mol. Formula:
C19H20ClN3O

M.W.:
341.84

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
52.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4084156

Name:
4-Chloro-3-((4-methylpiperazin-1-yl)methyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridShow More⌵

Mol. Formula:
C19H21ClN4

M.W.:
340.86

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4075413

Name:
1-((4-Chloro-2-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl)methyl)-N,N-dimethylpipShow More⌵

Mol. Formula:
C21H25ClN4

M.W.:
368.91

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4066851

Name:
4-Chloro-3-((4-(methylsulfonyl)piperazin-1-yl)methyl)-2-phenyl-1H-pyrrolo[3Show More⌵

Mol. Formula:
C19H21ClN4O2S

M.W.:
404.92

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
69.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4065210

Name:
1-((4-chloro-2-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl)methyl)-3,3-dimethylpipShow More⌵

Mol. Formula:
C21H24ClN3O

M.W.:
369.90

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
52.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4059833

Name:
2-(4-((4-Chloro-2-phenyl-1H-pyrrolo[3,2-c]pyridin-3-yl)methyl)piperazin-1-yShow More⌵

Mol. Formula:
C20H23ClN4O

M.W.:
370.88

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
55.39

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS