Compounds

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4294085

Name:
(R)-(2-(benzyloxymethyl)-5,6-dihydropyridin-1(2H)-yl)(4-(biphenyl-4-yl)-1H-Show More⌵

Mol. Formula:
C29H27N3O2

M.W.:
449.55

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4291201

Name:
(R)-(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(6-benzyl-3,6-dihydropyShow More⌵

Mol. Formula:
C27H24N4O

M.W.:
420.52

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4290942

Name:
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)((3R,6S)-6-((benzyloxy)methShow More⌵

Mol. Formula:
C28H26N4O3

M.W.:
466.54

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4290683

Name:
4-Nitrophenyl-(R)-6-((benzyloxy)methyl)-3,6-dihydropyridine-1(2H)-carboxylaShow More⌵

Mol. Formula:
C20H20N2O5

M.W.:
368.39

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
81.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4289712

Name:
(S)-(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(6-((benzyloxy)methyl)-Show More⌵

Mol. Formula:
C28H26N4O2

M.W.:
450.54

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4289572

Name:
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)((3R,6R)-6-((benzyloxy)methShow More⌵

Mol. Formula:
C28H26N4O3

M.W.:
466.54

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4288486

Name:
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-phenyl-1H-1,2,3-tShow More⌵

Mol. Formula:
C22H22N4O2

M.W.:
374.44

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4287766

Name:
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)((3R,6S)-6-benzyl-3-hydroxyShow More⌵

Mol. Formula:
C27H24N4O2

M.W.:
436.52

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4286853

Name:
(R)-(3-([1,1'-Biphenyl]-4-yl)-1H-pyrazol-1-yl)(6-((benzyloxy)methyl)-3,6-diShow More⌵

Mol. Formula:
C29H27N3O2

M.W.:
449.55

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4284689

Name:
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-(4-phenoxyphenyl)Show More⌵

Mol. Formula:
C28H26N4O3

M.W.:
466.54

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
69.48

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4283505

Name:
(R)-(3-([1,1'-Biphenyl]-4-yl)-1H-1,2,4-triazol-1-yl)(6-((benzyloxy)methyl)-Show More⌵

Mol. Formula:
C28H26N4O2

M.W.:
450.54

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4281906

Name:
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-(4-nitrophenyl)-1Show More⌵

Mol. Formula:
C22H21N5O4

M.W.:
419.44

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
103.39

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4281842

Name:
(R)-(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(6-((benzyloxy)methyl)-Show More⌵

Mol. Formula:
C28H26N4O2

M.W.:
450.54

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4279884

Name:
(R)-(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-((benzyloxy)methyl)pShow More⌵

Mol. Formula:
C28H28N4O2

M.W.:
452.56

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4279328

Name:
(S)-(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(6-benzyl-3,6-dihydropyShow More⌵

Mol. Formula:
C27H24N4O

M.W.:
420.52

6 activity values

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4278939

Name:
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-(4-bromophenyl)-1Show More⌵

Mol. Formula:
C23H22BrN3O2

M.W.:
452.35

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4278232

Name:
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)((2S,3R)-2-((benzyloxy)methShow More⌵

Mol. Formula:
C28H26N4O3

M.W.:
466.54