Compounds

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
48.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4559677

Name:
(2S)-2-(1-((((R)-1-aminoethyl)(hydroxy)phosphoryl)
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Mol. Formula:
C12H23N2O5P

M.W.:
306.30

1 activity values

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
129.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4529706

Name:
4-(4-{[3-(Methoxy)phenyl]methyl}phenyl)-1,3-thiazo
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Mol. Formula:
C17H16N2OS

M.W.:
296.40

1 activity values

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
48.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4861996

Name:
(R)-2-(5-(4-(4-Chlorophenoxy)phenyl)-2H-tetrazol-2
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Mol. Formula:
C16H16ClN5O

M.W.:
329.79

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
78.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4859847

Name:
(S)-3-Amino-4-(5-(4-(4-chlorophenoxy)phenyl)-2H-te
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Mol. Formula:
C17H16ClN5O3

M.W.:
373.80

10 activity values

9 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4858542

Name:
(R)-3-Amino-4-(5-(4-(4-chlorophenoxy)phenyl)-2H-te
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Mol. Formula:
C17H16ClN5O3

M.W.:
373.80

10 activity values

9 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4857223

Name:
(R)-3-Amino-4-(5-(4-(benzo[d]thiazol-2-yloxy)pheny
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Mol. Formula:
C18H16N6O3S

M.W.:
396.43

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
129.04

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4879150

Name:
2-(5-(4-(4-Chlorophenoxy)phenyl)-2H-tetrazol-2-yl)
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Mol. Formula:
C15H14ClN5O

M.W.:
315.76

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
78.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4878813

Name:
(R)-3-amino-4-(5-(4-(4-fluorophenoxy)phenyl)-2H-te
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Mol. Formula:
C17H16FN5O3

M.W.:
357.35

Type:
Unknown

AlogP:
2.07

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4877514

Name:
3-(5-(4-(4-Chlorophenoxy)phenyl)-2H-tetrazol-2-yl)
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Mol. Formula:
C16H13ClN4O3

M.W.:
344.76

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
90.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4875741

Name:
(S)-2-Amino-3-(5-(4-(4-chlorophenoxy)phenyl)-2H-te
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Mol. Formula:
C16H14ClN5O3

M.W.:
359.77

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4875329

Name:
2-(5-(4-Methoxyphenyl)-2H-tetrazol-2-yl)ethan-1-am
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Mol. Formula:
C10H13N5O

M.W.:
219.25

Type:
Unknown

AlogP:
0.31

Polar Surface Area:
78.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4874348

Name:
(R)-3-Amino-4-(5-(4-((benzyloxy)methyl)phenyl)-2H-
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Mol. Formula:
C19H21N5O3

M.W.:
367.41

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4874303

Name:
(R)-3-Amino-4-(5-(4-((5-methoxypyrimidin-2-yl)oxy)
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Mol. Formula:
C16H17N7O4

M.W.:
371.36

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
151.16

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4849465

Name:
(R)-3-Amino-4-(5-(4-(pentyloxy)phenyl)-2H-tetrazol
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Mol. Formula:
C16H23N5O3

M.W.:
333.39

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4847272

Name:
(R)-3-Amino-4-(5-(4-(4-(oxazol-2-yl)phenoxy)phenyl
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Mol. Formula:
C20H18N6O4

M.W.:
406.40

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
142.18

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4846099

Name:
(S)-3-Amino-4-(5-(4-(benzo[d]thiazol-2-yloxy)pheny
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Mol. Formula:
C18H16N6O3S

M.W.:
396.43

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
129.04

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4866709

Name:
(R)-3-Amino-4-(5-(4-phenethoxyphenyl)-2H-tetrazol-
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Mol. Formula:
C19H21N5O3

M.W.:
367.41

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
116.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4855474

Name:
(R)-1-(5-(4-(4-Chlorophenoxy)phenyl)-2H-tetrazol-2
Show More⌵

Mol. Formula:
C16H16ClN5O

M.W.:
329.79