Compounds

Type:
Unknown

AlogP:
6.54

Polar Surface Area:
135.79

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4799276

Name:
N-(3-(4-isopropoxy-6-(4-(4-methylpiperazin-1-yl)phenyl)-7H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C29H32N6O2

M.W.:
496.62

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
86.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4796265

Name:
N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-quinazolin-6-yl)-2-(4-Show More⌵

Mol. Formula:
C28H28ClFN6O2

M.W.:
535.02

22 activity values

6 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
82.62

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4795165

Name:
N-{3-{4-{{4-[(1,3-Dioxoisoindolin-2-yl)methyl]phenyl}amino}-7H-pyrrolo[2,3-Show More⌵

Mol. Formula:
C30H22N6O3

M.W.:
514.55

28 activity values

6 unique targets

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
120.08

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4794998

Name:
4-(4-(((6-Acrylamido-4-((3-chloro-2-fluorophenyl)amino)quinazolin-7-yl)oxy)Show More⌵

Mol. Formula:
C24H22ClFN8O4

M.W.:
540.94

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
156.18

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4794670

Name:
4-(4-(((6-Acrylamido-4-((3-chloro-4-((2-fluorobenzyl)oxy)phenyl)amino)quinaShow More⌵

Mol. Formula:
C31H28ClFN8O5

M.W.:
647.07

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
165.41

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4793731

Name:
N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(3-(4-methylpiperazin-1-yl)proShow More⌵

Mol. Formula:
C29H31ClFN5O2

M.W.:
536.05

56 activity values

12 unique targets

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
62.75

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4793338

Name:
N-(4-((3-chloro-4-fluorophenyl)amino)-7-((1-(3-(hydroxyamino)-3-oxopropyl)-Show More⌵

Mol. Formula:
C23H20ClFN8O4

M.W.:
526.92

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
156.18

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4787483

Name:
N-{3-{4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C27H21ClN6O2

M.W.:
496.96

28 activity values

6 unique targets

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
104.82

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4786257

Name:
N-{5-{4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C29H25ClN6O4

M.W.:
557.01

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
134.28

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4783947

Name:
N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)-phenyl)amino)quinazolin-6-yl)-2-((2Show More⌵

Mol. Formula:
C25H23ClFN5O3

M.W.:
495.94

27 activity values

24 unique targets

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
108.40

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4783667

Name:
N-{5-{4-{{4-[(1,3-Dioxoisoindolin-2-yl)methyl]phenyl}amino}-7H-pyrrolo[2,3-Show More⌵

Mol. Formula:
C32H26N6O5

M.W.:
574.60

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
149.54

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4783641

Name:
5-(4-(((6-Acrylamido-4-((3-chloro-2-fluorophenyl)amino)quinazolin-7-yl)oxy)Show More⌵

Mol. Formula:
C25H24ClFN8O4

M.W.:
554.97

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
156.18

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4782561

Name:
N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-quinazolin-6-yl)-2-((2Show More⌵

Mol. Formula:
C30H25ClFN5O3

M.W.:
558.01

65 activity values

27 unique targets

Type:
Unknown

AlogP:
6.29

Polar Surface Area:
108.40

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4781593

Name:
N-{3-{4-{{4-[(1,3-Dioxoisoindolin-2-yl)methoxy]phenyl}amino}-7H-pyrrolo[2,3Show More⌵

Mol. Formula:
C30H22N6O4

M.W.:
530.54

Type:
Unknown

AlogP:
5.13

Polar Surface Area:
129.31

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4778909

Name:
N-{3-{4-[(1-Benzyl-1H-indazol-5-yl)amino]-7H-pyrrolo[2,3-d]-pyrimidin-5-yl}Show More⌵

Mol. Formula:
C29H23N7O

M.W.:
485.55

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
100.52

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4763836

Name:
N-(4-((3-Chloro-4-(m-tolyloxy)phenyl)amino)quinazolin-6-yl)-2-(4-methylpipeShow More⌵

Mol. Formula:
C28H29ClN6O2

M.W.:
517.03

43 activity values

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
82.62

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4763834

Name:
N-{3-{4-[(4-Benzylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl}acryShow More⌵

Mol. Formula:
C28H23N5O

M.W.:
445.53

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4760739

Name:
N-{5-{4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C30H27ClN6O4

M.W.:
571.04

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
134.28

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4759697

Name:
N-(4-((3-chloro-2-fluorophenyl)amino)-7-((1-(3-(hydroxyamino)-3-oxopropyl)-Show More⌵

Mol. Formula:
C23H20ClFN8O4

M.W.:
526.92