Compounds

ALA5272595

Name:
(R)-3-(difluoromethyl)-N-methyl-N-(8-methyl-5-(3-methyl-1H-indazol-6-yl)-1,Show More⌵

Mol. Formula:
C27H26F2N4O

M.W.:
460.53

Type:
---

AlogP:
6.33

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5270849

Name:
N-((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-3-(4-methylpiperaShow More⌵

Mol. Formula:
C21H20ClF3N8

M.W.:
476.89

Type:
---

AlogP:
3.71

Polar Surface Area:
74.48

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5270194

Name:
1-(4-aminocyclohexyl)-3-(3,4-dichlorobenzyl)-5-(4-(piperidine-1-carbonyl)phShow More⌵

Mol. Formula:
C34H34Cl2N6O3

M.W.:
645.59

Type:
---

AlogP:
6.96

Polar Surface Area:
108.27

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5269658

Name:
N-(4-((6-((5-aminopyridin-2-yl)oxy)-7-methoxyquinolin-4-yl)oxy)phenyl)-N-(2Show More⌵

Mol. Formula:
C32H24F3N5O5

M.W.:
615.57

Type:
---

AlogP:
6.58

Polar Surface Area:
137.69

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5269169

Name:
1-(4-fluorophenyl)-N-(4-((7-((7-(hydroxyamino)-7-oxoheptyl)oxy)-6-methoxyquShow More⌵

Mol. Formula:
C34H35FN4O7

M.W.:
630.67

Type:
---

AlogP:
6.00

Polar Surface Area:
139.32

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5268922

Name:
Rac-3-(difluoromethyl)-N-methyl-N-(8-methyl-5-(3-methyl-1H-indazol-6-yl)-1,Show More⌵

Mol. Formula:
C27H26F2N4O

M.W.:
460.53

Type:
---

AlogP:
6.33

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5268193

Name:
(S)-6-(1-methyl-1H-pyrazol-4-yl)-2-((4-(5-(piperidin-4-ylmethoxy)pyrimidin-Show More⌵

Mol. Formula:
C23H30N8O3

M.W.:
466.55

Type:
---

AlogP:
0.72

Polar Surface Area:
112.22

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5267844

Name:
N-{3-fluoro-4-[(2-{4-[3-(4-methylpiperazin-1-yl)propyl]-4H-1,2,4-triazol-3-Show More⌵

Mol. Formula:
C33H36FN9O3

M.W.:
625.71

Type:
---

AlogP:
3.96

Polar Surface Area:
115.34

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5280503

Name:
Tert-butyl 4-(2-fluoro-4-(1-((4-fluorophenyl)carbamoyl)cyclopropane-1-carboShow More⌵

Mol. Formula:
C31H29F2N5O5S

M.W.:
621.67

Type:
---

AlogP:
6.41

Polar Surface Area:
122.75

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5279622

Name:
N-(7,8-dihydroxy-2-oxo-2H-chromen-3-yl)-2-[(7,8-dihydroxy-2-oxo-2H-chromen-Show More⌵

Mol. Formula:
C27H26N2O10

M.W.:
538.51

Type:
---

AlogP:
3.43

Polar Surface Area:
199.54

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5276696

Name:
N-(3-fluoro-4-((2-(4-((4-methylpiperazin-1-yl)methyl)-4H-1,2,4-triazol-3-ylShow More⌵

Mol. Formula:
C31H32FN9O3

M.W.:
597.66

Type:
---

AlogP:
3.53

Polar Surface Area:
115.34

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5275718

Name:
N-(4-((6,7-dimethoxyquinazolin-4-yl)oxy)-3-fluorophenyl)-N-(4-fluorophenyl)Show More⌵

Mol. Formula:
C27H22F2N4O5

M.W.:
520.49

Type:
---

AlogP:
5.07

Polar Surface Area:
111.67

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5275126

Name:
6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-Show More⌵

Mol. Formula:
C19H13F2N7

M.W.:
378.36

Type:
---

AlogP:
3.21

Polar Surface Area:
73.79

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5274483

Name:
2-((6-(2-(furan-2-yl)vinyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio)-N'-(Show More⌵

Mol. Formula:
C16H13N5O3S2

M.W.:
387.45

Type:
---

AlogP:
2.23

Polar Surface Area:
113.24

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5274092

Name:
8-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-2,3,4,5-tShow More⌵

Mol. Formula:
C25H20N8

M.W.:
432.49

Type:
---

AlogP:
3.61

Polar Surface Area:
97.20

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5274074

Name:
4-(3-((1H-pyrrolo[3,2-c]pyridin-1-yl)sulfonyl)imidazo[1,2-a]pyridin-6-yl)-2Show More⌵

Mol. Formula:
C22H16FN5O3S

M.W.:
449.47

Type:
---

AlogP:
3.09

Polar Surface Area:
98.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5286745

Name:
1-(2-morpholinoethyl)-3-(6-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)Show More⌵

Mol. Formula:
C25H24N8O2S2

M.W.:
532.66

Type:
---

AlogP:
4.01

Polar Surface Area:
109.57

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5285586

Name:
6-chloro-3-((2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl)methoxy)-[1,2Show More⌵

Mol. Formula:
C19H11Cl3N6O

M.W.:
445.70

Type:
---

AlogP:
4.98

Polar Surface Area:
69.61

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5285153

Name:
1-(3,4-dimethylphenyl)-4-((5-(2-hydroxy-5-nitrophenyl)furan-2-yl)methylene)Show More⌵

Mol. Formula:
C22H17N3O6

M.W.:
419.39

Type:
---

AlogP:
3.64

Polar Surface Area:
125.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5284720

Name:
2-(4-(3-((5,7-difluoroquinolin-6-yl)methyl)imidazo[1,2-b]pyridazin-6-yl)-1HShow More⌵

Mol. Formula:
C21H16F2N6O

M.W.:
406.40

Type:
---

AlogP:
3.00

Polar Surface Area:
81.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS