Compounds

ALA5270557

Name:
N-(1,2-oxazol-3-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamShow More⌵

Mol. Formula:
C13H12N6O2S

M.W.:
316.35

Type:
---

AlogP:
1.77

Polar Surface Area:
98.73

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5282444

Name:
N-phenyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Mol. Formula:
C16H15N5OS

M.W.:
325.40

Type:
---

AlogP:
2.78

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5281560

Name:
N-benzyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Mol. Formula:
C17H17N5OS

M.W.:
339.42

Type:
---

AlogP:
2.46

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5277916

Name:
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(pyrazin-2-yl)acetamide

Mol. Formula:
C13H11N7OS

M.W.:
313.35

Type:
---

AlogP:
1.18

Polar Surface Area:
98.48

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275855

Name:
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanaShow More⌵

Mol. Formula:
C13H12N6OS2

M.W.:
332.41

Type:
---

AlogP:
2.24

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5284526

Name:
N-benzyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

Mol. Formula:
C16H15N5OS

M.W.:
325.40

Type:
---

AlogP:
2.07

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5290013

Name:
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamiShow More⌵

Mol. Formula:
C12H10N6OS2

M.W.:
318.39

Type:
---

AlogP:
1.85

Polar Surface Area:
85.59

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5289758

Name:
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(pyrazin-2-yl)propanamide

Mol. Formula:
C14H13N7OS

M.W.:
327.37

Type:
---

AlogP:
1.57

Polar Surface Area:
98.48

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5289330

Name:
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(pyridin-2-yl)propanamide

Mol. Formula:
C15H14N6OS

M.W.:
326.39

Type:
---

AlogP:
2.18

Polar Surface Area:
85.59

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5288500

Name:
N-(1,2-oxazol-3-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamidShow More⌵

Mol. Formula:
C12H10N6O2S

M.W.:
302.32

Type:
---

AlogP:
1.38

Polar Surface Area:
98.73

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5267655

Name:
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(pyridin-2-yl)acetamide

Mol. Formula:
C14H12N6OS

M.W.:
312.36

Type:
---

AlogP:
1.79

Polar Surface Area:
85.59

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1088461

Name:
N-succinyl L,L-diaminopimelic acid

Mol. Formula:
C11H18N2O8

M.W.:
306.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.11

Polar Surface Area:
187.25

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

3-Phosphonopropionic acid

Name:
(2-Carboxyethyl)-phosphonic acid

Mol. Formula:
C3H7O5P

M.W.:
154.06

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
94.83

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

N-Carbobenzoxyhydroxylamine

Name:
N-(Benzyloxycarbonyl)hydroxylamine

Mol. Formula:
C8H9NO3

M.W.:
167.16

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

4-mercaptobutyric acid

Name:
delta-Mercaptobutyric acid

Mol. Formula:
C4H8O2S

M.W.:
120.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
37.30

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.54

DETAILS

L-Penicillamine

Name:
L-Penicillamine

Mol. Formula:
C5H11NO2S

M.W.:
149.22

19 activity values

13 unique targets

Type:
Small molecule

AlogP:
0.11

Polar Surface Area:
63.32

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS