Compounds

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
118.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3805896

Name:
3-(4-(4-(4-methoxybenzoyl)piperidin-1-yl)-4-oxobutyl)-6-methylpyrrolo[1,2-aShow More⌵

Mol. Formula:
C25H29N3O4

M.W.:
435.52

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
83.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3806163

Name:
7-fluoro-3-(4-(4-(4-methoxybenzoyl)piperidin-1-yl)-4-oxobutyl)pyrrolo[1,2-aShow More⌵

Mol. Formula:
C24H26FN3O4

M.W.:
439.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
83.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3805393

Name:
7-fluoro-3-(4-(4-(6-methoxynicotinoyl)piperidin-1-yl)-4-oxobutyl)pyrrolo[1,Show More⌵

Mol. Formula:
C23H25FN4O4

M.W.:
440.48

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
96.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3804939

Name:
2-(4-(4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl)-4-oxobutyl)-7-methylthieShow More⌵

Mol. Formula:
C25H29N3O4S

M.W.:
467.59

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
92.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3805627

Name:
4-(1-(4-(7-methyl-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)butanoShow More⌵

Mol. Formula:
C23H25N5O3

M.W.:
419.49

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
103.49

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3806049

Name:
2-(4-(4-(1-isopropyl-1H-pyrazole-4-carbonyl)piperidin-1-yl)-4-oxobutyl)-7-mShow More⌵

Mol. Formula:
C23H30N6O3

M.W.:
438.53

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
105.88

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3752054

Name:
N-(4-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methylcarbamoyl)phenyl)-Show More⌵

Mol. Formula:
C26H28N2O5

M.W.:
448.52

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
89.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3099719

Name:
5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolinShow More⌵

Mol. Formula:
C26H22FN5O2

M.W.:
455.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
110.00

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3098146

Name:
trans-(S)-3-(-4-(6-aminopyridin-3-yl)cyclohexyl)-5,5-dimethyl-4-phenyloxazoShow More⌵

Mol. Formula:
C22H27N3O2

M.W.:
365.48

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
68.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3099718

Name:
trans-2-amino-5-(-4-((S)-5,5-dimethyl-2-oxo-4-phenyloxazolidin-3-yl)cycloheShow More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
92.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3099717

Name:
cis-(S)-3-(-4-(6-amino-5-(pyrimidin-2-yl)pyridin-3-yl)cyclohexyl)-5,5-dimetShow More⌵

Mol. Formula:
C26H29N5O2

M.W.:
443.55

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
94.23

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2431798

Name:
4-(1R,2S,6R,7S)-4-Aza-tricyclo[5.2.1.0(2,6)]dec-8-en-4-yl-N-quinolin-8-yl-bShow More⌵

Mol. Formula:
C25H23N3O

M.W.:
381.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2381947

Name:
trans-2-(N-(5-chloro-2-methoxyphenyl)phenylsulfonamido)-N-(4-(2-oxo-2,3-dihShow More⌵

Mol. Formula:
C28H29ClN4O5S

M.W.:
569.08

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
113.50

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2325504

Name:
2-(4-chlorophenyl)-5-((4-(2-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-ylthiShow More⌵

Mol. Formula:
C18H13Cl2N5OS

M.W.:
418.31

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
69.63

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2325499

Name:
2-(2-(4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)ethyl)-5-p-Show More⌵

Mol. Formula:
C24H19ClN6O

M.W.:
442.91

3 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
82.52

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2325220

Name:
4-(5-((4-(3-chloropyridin-4-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio)Show More⌵

Mol. Formula:
C22H13ClN8OS

M.W.:
472.92

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
119.20

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2325219

Name:
3-(3-(3-(5-((4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio)Show More⌵

Mol. Formula:
C28H28ClN7O3S

M.W.:
578.10

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
127.00

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2325218

Name:
5-((5-(pyridin-4-yl)-1-o-tolyl-1H-imidazol-2-ylthio)methyl)-3-p-tolyl-1,2,4Show More⌵

Mol. Formula:
C25H21N5OS

M.W.:
439.54