Compounds

ALA5281074

Name:
2-methoxy-4-(((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)imino)methyl)phenoShow More⌵

Mol. Formula:
C17H16N4O3

M.W.:
324.34

Type:
---

AlogP:
2.95

Polar Surface Area:
92.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5278242

Name:
4-chloro-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazol-4-yl)pyridin-2-yShow More⌵

Mol. Formula:
C29H26ClN5O3S

M.W.:
560.08

Type:
---

AlogP:
5.74

Polar Surface Area:
109.14

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5273657

Name:
5-chloro-3-methyl-1-phenyl-N-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-amine

Mol. Formula:
C17H13ClF3N3

M.W.:
351.76

Type:
---

AlogP:
5.60

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5273436

Name:
3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-N-(1-(4-methoxyphenyl)-1H-Show More⌵

Mol. Formula:
C25H19ClF3N5O3

M.W.:
529.91

Type:
---

AlogP:
6.45

Polar Surface Area:
97.28

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5291404

Name:
(8R,9S,13S,14S,16R)-17-hydrazineyl-16-(methoxymethyl)-13-methyl-7,8,9,11,12Show More⌵

Mol. Formula:
C20H30N2O2

M.W.:
330.47

Type:
---

AlogP:
2.95

Polar Surface Area:
67.51

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5291091

Name:
N-(3-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)Show More⌵

Mol. Formula:
C30H33ClN6O2

M.W.:
545.09

Type:
---

AlogP:
5.23

Polar Surface Area:
75.52

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5290203

Name:
N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)Show More⌵

Mol. Formula:
C27H26ClN5O3

M.W.:
503.99

Type:
---

AlogP:
4.53

Polar Surface Area:
81.51

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5289891

Name:
N-(3-((4-(6-(3-fluorophenyl)imidazo[2,1-b]oxazol-5-yl)pyrimidin-2-yl)amino)Show More⌵

Mol. Formula:
C24H21FN6O3S

M.W.:
492.54

Type:
---

AlogP:
3.97

Polar Surface Area:
114.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5289047

Name:
N-(4-((7-((4-butylpiperazin-1-yl)oxy)-6-methoxyquinolin-4-yl)oxy)-3-fluoropShow More⌵

Mol. Formula:
C30H31F3N4O5S

M.W.:
616.66

Type:
---

AlogP:
5.97

Polar Surface Area:
93.23

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5287468

Name:
5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-indeShow More⌵

Mol. Formula:
C19H18N4O2

M.W.:
334.38

Type:
---

AlogP:
2.73

Polar Surface Area:
83.53

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5284834

Name:
1-(4-(4-(1H-imidazole-2-carbonyl)phenoxy)phenyl)-3-(4-chloro-3-(trifluoromeShow More⌵

Mol. Formula:
C24H16ClF3N4O3

M.W.:
500.86

Type:
---

AlogP:
6.75

Polar Surface Area:
96.11

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5284248

Name:
2-morpholinoethyl 3-(3-(3-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)beShow More⌵

Mol. Formula:
C28H27F3N6O4

M.W.:
568.56

Type:
---

AlogP:
4.33

Polar Surface Area:
114.37

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5269949

Name:
N-(3-((2-(9H-purin-6-yl)phenyl)amino)-2,4-difluorophenyl)furan-3-sulfonamidShow More⌵

Mol. Formula:
C21H14F2N6O3S

M.W.:
468.45

Type:
---

AlogP:
4.44

Polar Surface Area:
125.80

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5269846

Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(3-((2-methyl-6-morpholinopyrimidiShow More⌵

Mol. Formula:
C23H22ClF3N6O2

M.W.:
506.92

Type:
---

AlogP:
5.68

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5269755

Name:
methyl 2-(5-(2-nitrovinyl)furan-2-yl)benzoate

Mol. Formula:
C14H11NO5

M.W.:
273.24

Type:
---

AlogP:
2.98

Polar Surface Area:
82.58

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5269168

Name:
N-(2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)proShow More⌵

Mol. Formula:
C18H17F2N3O2S

M.W.:
377.42

Type:
---

AlogP:
3.86

Polar Surface Area:
80.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5267814

Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-((1-methyl-1H-pyrazolo[3,4-d]pyShow More⌵

Mol. Formula:
C20H14ClF3N6O2

M.W.:
462.82

Type:
---

AlogP:
5.47

Polar Surface Area:
93.96

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5272706

Name:
6-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)benzoyl)-N-methyl-1H-benShow More⌵

Mol. Formula:
C24H17ClF3N5O3

M.W.:
515.88

Type:
---

AlogP:
5.47

Polar Surface Area:
115.98

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5271555

Name:
N,N-dimethyl-2-(4-(4-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-5-(pyridin-Show More⌵

Mol. Formula:
C27H27N5O2

M.W.:
453.55

Type:
---

AlogP:
2.91

Polar Surface Area:
82.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5271182

Name:
N-(4-chloro-3-(trifluoromethyl)phenyl)-4-methyl-3-(1-(2-((2-(4-methylpiperaShow More⌵

Mol. Formula:
C30H33ClF3N7O2

M.W.:
616.09

Type:
---

AlogP:
5.04

Polar Surface Area:
102.49

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS