Compounds

ALA2269978

Name:
N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,3-dimethyl-1H-pyrazole-5-cShow More⌵

Mol. Formula:
C19H27N3O3

M.W.:
345.44

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2269977

Name:
N-acetyl-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-3-isopropyl-1-methyShow More⌵

Mol. Formula:
C23H33N3O4

M.W.:
415.53

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2269976

Name:
N-acetyl-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1-methyl-3-propyl-1Show More⌵

Mol. Formula:
C23H33N3O4

M.W.:
415.53

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2269975

Name:
N-acetyl-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-3-ethyl-1-methyl-1HShow More⌵

Mol. Formula:
C22H31N3O4

M.W.:
401.51

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2269974

Name:
N-acetyl-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,3-dimethyl-1H-pyrShow More⌵

Mol. Formula:
C21H29N3O4

M.W.:
387.48

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2269973

Name:
4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,3-dimethyl-N-undeShow More⌵

Mol. Formula:
C30H46ClN3O4

M.W.:
548.17

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.85

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2269972

Name:
4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-N-hexanoyl-1,3-dimeShow More⌵

Mol. Formula:
C25H36ClN3O4

M.W.:
478.03

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2269971

Name:
N-butyryl-3-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,4-dimetShow More⌵

Mol. Formula:
C24H33ClN2O4

M.W.:
448.99

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
60.77

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2269970

Name:
4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,3-dimethyl-N-propShow More⌵

Mol. Formula:
C22H30ClN3O4

M.W.:
435.95

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2269969

Name:
N-acetyl-3-tert-butyl-4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyShow More⌵

Mol. Formula:
C24H34ClN3O4

M.W.:
464.01

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2269968

Name:
N-acetyl-4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1-methyl-3Show More⌵

Mol. Formula:
C23H32ClN3O4

M.W.:
449.98

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2269967

Name:
N-acetyl-4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-3-ethyl-1-Show More⌵

Mol. Formula:
C22H30ClN3O4

M.W.:
435.95

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2269966

Name:
N-acetyl-4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,3-dimethShow More⌵

Mol. Formula:
C21H28ClN3O4

M.W.:
421.93

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2269965

Name:
N-acetyl-4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1-methyl-1Show More⌵

Mol. Formula:
C20H26ClN3O4

M.W.:
407.90

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
73.66

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2269964

Name:
3-tert-butyl-4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1-methShow More⌵

Mol. Formula:
C22H32ClN3O3

M.W.:
421.97

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2269963

Name:
4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-3-ethyl-1-methyl-1HShow More⌵

Mol. Formula:
C20H28ClN3O3

M.W.:
393.92

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2269962

Name:
4-chloro-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1,3-dimethyl-1H-pyrShow More⌵

Mol. Formula:
C19H26ClN3O3

M.W.:
379.89

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2269961

Name:
3-tert-butyl-N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1-methyl-1H-pyrShow More⌵

Mol. Formula:
C22H33N3O3

M.W.:
387.52

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2269960

Name:
N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-1-methyl-3-propyl-1H-pyrazolShow More⌵

Mol. Formula:
C21H31N3O3

M.W.:
373.50

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2269959

Name:
N-(2-(4-(2-ethoxyethyl)-2-methylphenoxy)ethyl)-3-ethyl-1-methyl-1H-pyrazoleShow More⌵

Mol. Formula:
C20H29N3O3

M.W.:
359.47

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.66

DETAILS