Compounds

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3785557

Name:
2-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonyl)phenyl]aShow More⌵

Mol. Formula:
C22H26O4S

M.W.:
386.51

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3786927

Name:
2-{3-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-sulfanyl]phenShow More⌵

Mol. Formula:
C22H26O2S

M.W.:
354.52

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3786043

Name:
2-{4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-sulfanyl]phenShow More⌵

Mol. Formula:
C22H26O2S

M.W.:
354.52

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3786340

Name:
3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonyl)phenyl]pShow More⌵

Mol. Formula:
C23H28O4S

M.W.:
400.54

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3787323

Name:
3-{4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dithiolShow More⌵

Mol. Formula:
C26H32O2S2

M.W.:
440.67

15 activity values

9 unique targets

Type:
Small molecule

AlogP:
6.73

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3617993

Name:
N-(4-(2-(dimethylamino)-1-(1H-1,2,4-triazol-1-yl)propyl)phenyl)benzo[d]thiaShow More⌵

Mol. Formula:
C20H22N6S

M.W.:
378.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
58.87

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3617992

Name:
Isobutyl 2-(benzo[d]thiazole-2-carboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C18H20N4O3S

M.W.:
372.45

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
86.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3617991

Name:
Isopropyl 2-(benzo[d]thiazole-2-carboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C17H18N4O3S

M.W.:
358.42

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
86.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3617990

Name:
Propyl 2-(benzo[d]thiazole-2-carboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C17H18N4O3S

M.W.:
358.42

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
86.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3617989

Name:
Ethyl 2-(benzo[d]thiazole-2-carboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C16H16N4O3S

M.W.:
344.40

Type:
Small molecule

AlogP:
1.85

Polar Surface Area:
86.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3617988

Name:
Methyl 2-(benzo[d]thiazole-2-carboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C15H14N4O3S

M.W.:
330.37

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
86.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3617987

Name:
Isobutyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxamido)-3-(1H-imiShow More⌵

Mol. Formula:
C21H24ClN5O3

M.W.:
429.91

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
91.04

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3617986

Name:
Isopropyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxamido)-3-(1H-imShow More⌵

Mol. Formula:
C20H22ClN5O3

M.W.:
415.88

13 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
91.04

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3617985

Name:
Propyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxamido)-3-(1H-imidaShow More⌵

Mol. Formula:
C20H22ClN5O3

M.W.:
415.88

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
91.04

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3617984

Name:
Ethyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxamido)-3-(1H-imidazShow More⌵

Mol. Formula:
C19H20ClN5O3

M.W.:
401.85

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
91.04

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3617983

Name:
Methyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxamido)-3-(1H-imidaShow More⌵

Mol. Formula:
C18H18ClN5O3

M.W.:
387.83

11 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
91.04

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3617982

Name:
Isobutyl 2-([1,1'-biphenyl]-4-ylcarboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C23H25N3O3

M.W.:
391.47

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3617981

Name:
Isopropyl 2-([1,1'-biphenyl]-4-ylcarboxamido)-3-(1H-imidazol-1-yl)propanoatShow More⌵

Mol. Formula:
C22H23N3O3

M.W.:
377.44

11 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3617980

Name:
Propyl 2-([1,1'-biphenyl]-4-ylcarboxamido)-3-(1H-imidazol-1-yl)propanoate

Mol. Formula:
C22H23N3O3

M.W.:
377.44