Compounds

Type:
---

AlogP:
4.40

Polar Surface Area:
109.21

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5207488

Name:
4-nitro-N-(4-phenylpyridin-2-yl)-1H-pyrazole-5-carboxamide

Mol. Formula:
C15H11N5O3

M.W.:
309.29

2 activity values

Type:
---

AlogP:
2.63

Polar Surface Area:
113.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5206893

Name:
7-chloro-4-(1H-imidazol-1-yl)-6-methoxyquinoline

Mol. Formula:
C13H10ClN3O

M.W.:
259.70

Type:
---

AlogP:
3.08

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5206881

Name:
N-(4-(1H-indol-3-yl)thiazol-2-yl)-2-chloroacetamide

Mol. Formula:
C13H10ClN3OS

M.W.:
291.76

Type:
---

AlogP:
3.47

Polar Surface Area:
57.78

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5206813

Name:
2-((4-chloronaphthalen-1-yl)oxy)-N-(3-hydroxypyridin-2-yl)acetamide

Mol. Formula:
C17H13ClN2O3

M.W.:
328.75

Type:
---

AlogP:
3.61

Polar Surface Area:
71.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5205793

Name:

Mol. Formula:
C9H6ClN5O3

M.W.:
267.63

Type:
---

AlogP:
1.62

Polar Surface Area:
113.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5203753

Name:
(1S,2R)-2-(7-hydroxy-5-phenyl-3,3a-dihydropyrazolo[1,5-a]pyrimidine-3-carboShow More⌵

Mol. Formula:
C20H22N4O4

M.W.:
382.42

Type:
---

AlogP:
1.89

Polar Surface Area:
114.59

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5203275

Name:
(E)-5-(2-oxoindolin-3-ylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one

Mol. Formula:
C16H15N3O2S

M.W.:
313.38

Type:
---

AlogP:
2.47

Polar Surface Area:
61.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5190467

Name:
(2S,4R)-1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)-4-(2-oxo-2-(pyridin-4-ylShow More⌵

Mol. Formula:
C23H21N5O4

M.W.:
431.45

Type:
---

AlogP:
3.39

Polar Surface Area:
121.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5187628

Name:
2H-[3,4'-bi(1,2,4-triazole)]-5-carboxylic acid

Mol. Formula:
C5H4N6O2

M.W.:
180.13

Type:
---

AlogP:
-0.92

Polar Surface Area:
109.58

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5179510

Name:
1-(6,8-dichloro-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2-methoxyethanoShow More⌵

Mol. Formula:
C14H14Cl2N2O2

M.W.:
313.18

Type:
---

AlogP:
3.01

Polar Surface Area:
45.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5174318

Name:
1-(6,7-dichloro-9-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]inShow More⌵

Mol. Formula:
C17H16Cl2N4O2

M.W.:
379.25

Type:
---

AlogP:
2.75

Polar Surface Area:
74.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5173649

Name:
3-(2H-[3,4'-bi(1,2,4-triazole)]-5-carboxamido)benzoic acid

Mol. Formula:
C12H9N7O3

M.W.:
299.25

Type:
---

AlogP:
0.34

Polar Surface Area:
138.68

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5094220

Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2H-[3,4'-bi(1,2,4-triazShow More⌵

Mol. Formula:
C14H12N8OS

M.W.:
340.37

2 activity values

Type:
Unknown

AlogP:
1.45

Polar Surface Area:
125.17

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5081956

Name:
1-(6,7-dichloro-9-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)Show More⌵

Mol. Formula:
C16H14Cl2N4O2

M.W.:
365.22

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
85.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5076595

Name:
methyl 4-amino-6-((3,5-difluoro-4-iodophenyl)amino)-1,3,5-triazine-2-carboxShow More⌵

Mol. Formula:
C11H8F2IN5O2

M.W.:
407.12

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
103.02

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4594128

Name:
5-(2-bromo-4-hydroxy-5-(pyrimidin-5-ylmethoxy)benzylidene)-3-methylthiazoliShow More⌵

Mol. Formula:
C16H12BrN3O4S

M.W.:
422.26

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
92.62

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4592724

Name:
2-(2-bromo-5-(1-(2-chloropyrimidin-5-yl)ethoxy)-3-fluoro-4-hydroxybenzyl)thShow More⌵

Mol. Formula:
C20H14BrClFN3O3S

M.W.:
510.77

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
85.20

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4592540

Name:
5-(5-(2-(2-aminopyrimidin-5-yl)-2-oxoethoxy)-2-bromo-3-fluoro-4-hydroxybenzShow More⌵

Mol. Formula:
C17H12BrFN4O5S

M.W.:
483.28

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
135.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4592474

Name:
5-(2-bromo-4-hydroxy-5-((2-(pyridin-3-yl)pyrimidin-5-yl)methoxy)benzylideneShow More⌵

Mol. Formula:
C21H15BrN4O4S

M.W.:
499.35