Compounds

ALA5272707

Name:
N-(3-(tert-butyl)-5-methoxyphenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,Show More⌵

Mol. Formula:
C23H28N4O4

M.W.:
424.50

Type:
---

AlogP:
4.15

Polar Surface Area:
87.50

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5272315

Name:
1-(2,5-dimethoxyphenyl)-5-methyl-N-(3-morpholinophenyl)-1H-1,2,3-triazole-4Show More⌵

Mol. Formula:
C22H25N5O4

M.W.:
423.47

Type:
---

AlogP:
2.68

Polar Surface Area:
90.74

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5271913

Name:
N-(3-(tert-butyl)-5-cyanophenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-Show More⌵

Mol. Formula:
C23H25N5O3

M.W.:
419.49

Type:
---

AlogP:
4.01

Polar Surface Area:
102.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5271698

Name:
N-(2-butoxy-5-(tert-butyl)phenyl)-1-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-Show More⌵

Mol. Formula:
C25H31FN4O3

M.W.:
454.55

Type:
---

AlogP:
5.45

Polar Surface Area:
78.27

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5271650

Name:
Endosulfan

Mol. Formula:
C10H6Cl6O3

M.W.:
386.87

Type:
---

AlogP:
4.23

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5271191

Name:
1-(2,5-dimethoxyphenyl)-5-methyl-N-(m-tolyl)-1H-1,2,3-triazole-4-carboxamidShow More⌵

Mol. Formula:
C19H20N4O3

M.W.:
352.39

Type:
---

AlogP:
3.15

Polar Surface Area:
78.27

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5271121

Name:
N-(2-butoxy-5-(tert-butyl)phenyl)-5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazoShow More⌵

Mol. Formula:
C23H29N5O2

M.W.:
407.52

Type:
---

AlogP:
4.70

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5270384

Name:
N-(2-butoxy-5-(tert-butyl)phenyl)-1-(2-methoxy-5-(trifluoromethyl)phenyl)-5Show More⌵

Mol. Formula:
C26H31F3N4O3

M.W.:
504.55

Type:
---

AlogP:
6.33

Polar Surface Area:
78.27

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5270149

Name:
N-(2-butoxy-5-(tert-butyl)phenyl)-1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3Show More⌵

Mol. Formula:
C26H34N4O4

M.W.:
466.58

Type:
---

AlogP:
5.32

Polar Surface Area:
87.50

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5269991

Name:
N-(5-(tert-butyl)-2-hydroxyphenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,Show More⌵

Mol. Formula:
C22H26N4O4

M.W.:
410.47

Type:
---

AlogP:
3.85

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5269977

Name:
N-(2-butoxy-5-(tert-butyl)phenyl)-1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-Show More⌵

Mol. Formula:
C25H31ClN4O3

M.W.:
471.00

Type:
---

AlogP:
5.97

Polar Surface Area:
78.27

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5269952

Name:
N-(5-(tert-butyl)-2-(2-morpholinoethoxy)phenyl)-1-(2,5-dimethoxyphenyl)-5-mShow More⌵

Mol. Formula:
C28H37N5O5

M.W.:
523.63

Type:
---

AlogP:
3.85

Polar Surface Area:
99.97

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5269205

Name:
N-(5-(tert-butyl)-2-(2-(dimethylamino)ethoxy)phenyl)-1-(2,5-dimethoxyphenylShow More⌵

Mol. Formula:
C26H35N5O4

M.W.:
481.60

Type:
---

AlogP:
4.08

Polar Surface Area:
90.74

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5269184

Name:
N-(2-amino-5-(tert-butyl)phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-Show More⌵

Mol. Formula:
C22H27N5O3

M.W.:
409.49

Type:
---

AlogP:
3.72

Polar Surface Area:
104.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5269047

Name:
13-cyclohexyl-6-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)-N-(N,N-dimethylShow More⌵

Mol. Formula:
C34H42N4O6S

M.W.:
634.80

Type:
---

AlogP:
4.93

Polar Surface Area:
110.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5268870

Name:
N-(5-(tert-butyl)-2-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-1-(2,5-dimethShow More⌵

Mol. Formula:
C29H40N6O4

M.W.:
536.68

Type:
---

AlogP:
3.77

Polar Surface Area:
93.98

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5268267

Name:
tert-butyl (4-(tert-butyl)-2-(1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triShow More⌵

Mol. Formula:
C27H35N5O5

M.W.:
509.61

Type:
---

AlogP:
5.49

Polar Surface Area:
116.60

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5267901

Name:
N-(2-butoxy-5-(tert-butyl)phenyl)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carShow More⌵

Mol. Formula:
C24H30N4O2

M.W.:
406.53

Type:
---

AlogP:
5.30

Polar Surface Area:
69.04

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5282686

Name:
N-(2-(tert-butyl)pyridin-4-yl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-trShow More⌵

Mol. Formula:
C21H25N5O3

M.W.:
395.46

Type:
---

AlogP:
3.54

Polar Surface Area:
91.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5281952

Name:
rac-N-(5-(tert-butyl)-2-(pentan-2-yloxy)phenyl)-1-(2-methoxy-5-methylphenylShow More⌵

Mol. Formula:
C27H36N4O3

M.W.:
464.61

Type:
---

AlogP:
6.01

Polar Surface Area:
78.27

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS