Compounds

ALA5270581

Name:
2-(Cyclopropanecarboxamido)-N-(4-phenylpyridin-3-yl)-isonicotinamide

Mol. Formula:
C21H18N4O2

M.W.:
358.40

Type:
---

AlogP:
3.74

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5278665

Name:
(2Z)-4,6-dihydroxy-2-[[5-(4-pyridyl)-1H-pyrazol-3-yl]methylene]benzofuran-3Show More⌵

Mol. Formula:
C17H11N3O4

M.W.:
321.29

Type:
---

AlogP:
2.50

Polar Surface Area:
108.33

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5278465

Name:
N-(4-(4-Chlorophenyl)pyridin-3-yl)-2-(cyclopropanecarboxamido)isonicotinamiShow More⌵

Mol. Formula:
C21H17ClN4O2

M.W.:
392.85

Type:
---

AlogP:
4.40

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5290692

Name:
(2Z)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-4-hydroxy-6-methShow More⌵

Mol. Formula:
C17H11ClN2O4

M.W.:
342.74

Type:
---

AlogP:
3.55

Polar Surface Area:
84.44

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5288565

Name:
2-(Cyclopropanecarboxamido)-N-(4-(4-fluorophenyl)pyridin-3-yl)isonicotinamiShow More⌵

Mol. Formula:
C21H17FN4O2

M.W.:
376.39

Type:
---

AlogP:
3.88

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5205827

Name:
15H-2,5-dioxa-8-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacycloundecaphanShow More⌵

Mol. Formula:
C18H21N3O3

M.W.:
327.38

2 activity values

2 unique targets

Type:
---

AlogP:
2.71

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5204548

Name:
8-methyl-15H-2,5-dioxa-8-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclodShow More⌵

Mol. Formula:
C20H25N3O3

M.W.:
355.44

2 activity values

2 unique targets

Type:
---

AlogP:
3.45

Polar Surface Area:
47.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5204474

Name:
15H-2,9-dioxa-6-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacycloundecaphanShow More⌵

Mol. Formula:
C18H21N3O3

M.W.:
327.38

2 activity values

2 unique targets

Type:
---

AlogP:
2.71

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5199618

Name:
15H-2-oxa-7-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclododecaphane

Mol. Formula:
C20H25N3O2

M.W.:
339.44

2 activity values

2 unique targets

Type:
---

AlogP:
4.26

Polar Surface Area:
46.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5197665

Name:
15H-2,5-dioxa-8-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclododecaphanShow More⌵

Mol. Formula:
C19H23N3O3

M.W.:
341.41

2 activity values

2 unique targets

Type:
---

AlogP:
3.10

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5197400

Name:
15H-2-oxa-7-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacycloundecaphane

Mol. Formula:
C19H23N3O2

M.W.:
325.41

2 activity values

2 unique targets

Type:
---

AlogP:
3.87

Polar Surface Area:
46.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5189982

Name:
15H-2-oxa-8-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclododecaphane

Mol. Formula:
C20H25N3O2

M.W.:
339.44

2 activity values

2 unique targets

Type:
---

AlogP:
4.26

Polar Surface Area:
46.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5187722

Name:
15H-2,11-dioxa-8-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclotridecaphShow More⌵

Mol. Formula:
C20H25N3O3

M.W.:
355.44

2 activity values

2 unique targets

Type:
---

AlogP:
3.49

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5181648

Name:
15H-2,10-dioxa-7-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclododecaphaShow More⌵

Mol. Formula:
C19H23N3O3

M.W.:
341.41

2 activity values

2 unique targets

Type:
---

AlogP:
3.10

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5178027

Name:
(3Z)-3-[(E)-4-(4-fluorophenyl)-2-oxo-but-3-enylidene]indolin-2-one

Mol. Formula:
C18H12FNO2

M.W.:
293.30

4 activity values

4 unique targets

Type:
---

AlogP:
3.44

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5177750

Name:
15H-2,5-dioxa-8-aza-1(7,5)-benzo[b]pyrido[4,3-e][1,4]oxazinacyclotridecaphaShow More⌵

Mol. Formula:
C20H25N3O3

M.W.:
355.44

2 activity values

2 unique targets

Type:
---

AlogP:
3.49

Polar Surface Area:
55.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4796578

Name:
Rac-4-chloro-1-[(1S)-1-[(3R)-3-fluoropyrrolidin-3-yl]ethyl]-3-methyl-pyrrolShow More⌵

Mol. Formula:
C15H18ClFN4O

M.W.:
324.79

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
72.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4796070

Name:
3-Amino-6-(2,6-difluorophenyl)-N-(4-((1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethShow More⌵

Mol. Formula:
C25H26F2N4O3

M.W.:
468.50

11 activity values

6 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
121.36

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4793492

Name:
(S)-5-((2-(3-aminopiperidin-1-yl)biphenyl-3-yl)methylene)thiazolidine-2,4-dShow More⌵

Mol. Formula:
C21H21N3O2S

M.W.:
379.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
75.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4792066

Name:
5-Amino-2-(2,6-difluorophenyl)-N-(4-((1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethShow More⌵

Mol. Formula:
C23H24F2N4O3S

M.W.:
474.53

11 activity values

6 unique targets

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
121.36

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS