Compounds

ALA1271418

Name:
(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl-3-(1-(2,2,2-trifluoroethShow More⌵

Mol. Formula:
C27H34F3N5O

M.W.:
501.60

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
52.57

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1271310

Name:
1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,Show More⌵

Mol. Formula:
C32H45N5O2

M.W.:
531.75

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
69.64

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1271208

Name:
4,6-dimethyl-5-((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpShow More⌵

Mol. Formula:
C30H39N5O3S

M.W.:
549.74

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
97.61

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1271207

Name:
1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,Show More⌵

Mol. Formula:
C31H43N5O2

M.W.:
517.72

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
69.64

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1271108

Name:
4,6-dimethyl-5-((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpShow More⌵

Mol. Formula:
C29H39N3O5S

M.W.:
541.71

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
91.14

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1271107

Name:
1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,Show More⌵

Mol. Formula:
C30H41N5O2

M.W.:
503.69

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
69.64

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1271000

Name:
(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(isopropylsulfonyl)piperidinShow More⌵

Mol. Formula:
C30H43N5O3S

M.W.:
553.77

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1270901

Name:
(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-Show More⌵

Mol. Formula:
C28H39N5O3S

M.W.:
525.72

13 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1270900

Name:
methyl 4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolShow More⌵

Mol. Formula:
C29H39N5O3

M.W.:
505.66

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
78.87

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1270799

Name:
(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(ethylsulfonyl)piperidin-4-yShow More⌵

Mol. Formula:
C29H41N5O3S

M.W.:
539.75

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1270798

Name:
((3aR,6aS)-5-(3-(1-(2,2-difluoroethyl)piperidin-4-yl)-3-(3,5-difluorophenylShow More⌵

Mol. Formula:
C29H37F4N5O

M.W.:
547.64

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
52.57

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1270694

Name:
((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)piperidin-4-yl)-3-phenylpropyl)hexaShow More⌵

Mol. Formula:
C30H41N5O3S

M.W.:
551.76

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1270693

Name:
((3aR,6aS)-5-(3-(1-(2,2-difluoroethyl)piperidin-4-yl)-3-(3-fluorophenyl)proShow More⌵

Mol. Formula:
C29H38F3N5O

M.W.:
529.65

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
52.57

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1270595

Name:
((3aR,6aS)-5-(3-(1-(cyclopentylsulfonyl)azetidin-3-yl)-3-phenylpropyl)hexahShow More⌵

Mol. Formula:
C30H41N5O3S

M.W.:
551.76

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1270594

Name:
((3aR,6aS)-5-(3-(1-(2,2-difluoroethyl)piperidin-4-yl)-3-phenylpropyl)hexahyShow More⌵

Mol. Formula:
C29H39F2N5O

M.W.:
511.66

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
52.57

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1270494

Name:
(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(methylsulfonyl)azetidin-3-yShow More⌵

Mol. Formula:
C26H35N5O3S

M.W.:
497.67

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1270493

Name:
(4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl-3-(1-(2,2,2-trifluoroethShow More⌵

Mol. Formula:
C29H38F3N5O

M.W.:
529.65

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
52.57

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1270401

Name:
((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-(3,5-difluorophenyShow More⌵

Mol. Formula:
C28H35F2N5O3S

M.W.:
559.68

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1270400

Name:
4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-cShow More⌵

Mol. Formula:
C31H44N6O2

M.W.:
532.73

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
81.67

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1270303

Name:
((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-(3-fluorophenyl)prShow More⌵

Mol. Formula:
C28H36FN5O3S

M.W.:
541.69

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
86.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS