Compounds

ALA5272697

Name:
2-(2-((1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)hydrazinShow More⌵

Mol. Formula:
C17H15N7O4

M.W.:
381.35

Type:
---

AlogP:
1.76

Polar Surface Area:
150.56

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5271700

Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)imidazolidin-2-onShow More⌵

Mol. Formula:
C16H12ClF3N2O2

M.W.:
356.73

Type:
---

AlogP:
4.51

Polar Surface Area:
43.78

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5271079

Name:
N-(4-fluorophenyl)-2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetamide

Mol. Formula:
C16H13FN4O

M.W.:
296.31

Type:
---

AlogP:
2.72

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5268751

Name:
1-(1,3-benzodioxol-5-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Mol. Formula:
C15H10ClF3N2O3

M.W.:
358.70

Type:
---

AlogP:
4.73

Polar Surface Area:
59.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5268470

Name:
1-(4-chloro-3-fluoro-phenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Mol. Formula:
C14H8Cl2F4N2O

M.W.:
367.13

Type:
---

AlogP:
5.80

Polar Surface Area:
41.13

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5268338

Name:
N-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)acetamide

Mol. Formula:
C16H12F2N4O

M.W.:
314.30

Type:
---

AlogP:
2.86

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5267882

Name:
4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-imidazolidin-1-yl]phenoxShow More⌵

Mol. Formula:
C23H18ClF3N4O3

M.W.:
490.87

Type:
---

AlogP:
5.35

Polar Surface Area:
74.77

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282553

Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(difluoromethoxy)phenyl]urea

Mol. Formula:
C15H10ClF5N2O2

M.W.:
380.70

Type:
---

AlogP:
5.60

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5281914

Name:
1-(5-chloro-2-fluoro-phenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Mol. Formula:
C14H8Cl2F4N2O

M.W.:
367.13

Type:
---

AlogP:
5.80

Polar Surface Area:
41.13

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280721

Name:
1-(3-chloro-2-fluoro-phenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyShow More⌵

Mol. Formula:
C15H10Cl2F4N2O

M.W.:
381.16

Type:
---

AlogP:
5.82

Polar Surface Area:
32.34

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5276864

Name:
2-(2,5-dichlorophenyl)-8-methoxy-5-methyl-2,3,5a,11b-tetrahydrochromeno[4,3Show More⌵

Mol. Formula:
C21H15Cl2N3O4

M.W.:
444.27

Type:
---

AlogP:
4.25

Polar Surface Area:
85.68

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5276036

Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)urea

Mol. Formula:
C15H12ClF3N2O2

M.W.:
344.72

Type:
---

AlogP:
5.01

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5275599

Name:
4-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-Show More⌵

Mol. Formula:
C21H16ClF3N4O3

M.W.:
464.83

Type:
---

AlogP:
5.55

Polar Surface Area:
92.35

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5275478

Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

Mol. Formula:
C15H9ClF6N2O

M.W.:
382.69

Type:
---

AlogP:
6.02

Polar Surface Area:
41.13

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5273588

Name:
3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-N-[4-(trifluoromethoxy)phenyl]Show More⌵

Mol. Formula:
C18H12ClF6N3O3

M.W.:
467.75

Type:
---

AlogP:
5.73

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5285897

Name:
2-(2-((1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)hydrazinShow More⌵

Mol. Formula:
C17H15BrN6O2

M.W.:
415.25

Type:
---

AlogP:
2.61

Polar Surface Area:
107.42

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5284474

Name:
4-imino-3-(pyridin-2-yl)-3,4-dihydro-5H-chromeno[3,4-c]pyridin-5-one

Mol. Formula:
C17H11N3O2

M.W.:
289.29

Type:
---

AlogP:
2.61

Polar Surface Area:
71.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5290241

Name:
4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-imidazolidine-1-carbonyShow More⌵

Mol. Formula:
C24H19ClF3N5O4

M.W.:
533.89

Type:
---

AlogP:
5.38

Polar Surface Area:
103.87

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5287435

Name:
1-(2-chloro-4,5-difluoro-phenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Mol. Formula:
C14H7Cl2F5N2O

M.W.:
385.12

Type:
---

AlogP:
5.93

Polar Surface Area:
41.13

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5277538

Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea

Mol. Formula:
C14H9ClF4N2O

M.W.:
332.68

Type:
---

AlogP:
5.14

Polar Surface Area:
41.13

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS