Compounds

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4215471

Name:
(+)-2-Amino-3-(6-chloro-3'-hydroxy-[1,1'-biphenyl]-3-yl)propanoic acid

Mol. Formula:
C15H14ClNO3

M.W.:
291.73

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4212533

Name:
(-)-2-Amino-3-(5-chloro-3'-hydroxy-[1,1'-biphenyl]-3-yl)propanoic acid

Mol. Formula:
C15H14ClNO3

M.W.:
291.73

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4211059

Name:
(+)-2-Amino-3-(5-chloro-3'-hydroxy-[1,1'-biphenyl]-3-yl)propanoic acid

Mol. Formula:
C15H14ClNO3

M.W.:
291.73

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4208162

Name:
(-)-2-Amino-3-(6-chloro-2',5'-dihydroxy-5-nitro-[1,1'-biphenyl]-3-yl)propanShow More⌵

Mol. Formula:
C15H13ClN2O6

M.W.:
352.73

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
146.92

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4207628

Name:
(+)-2-Amino-3-(6-chloro-2',5'-dihydroxy-5-nitro-[1,1'-biphenyl]-3-yl)propanShow More⌵

Mol. Formula:
C15H13ClN2O6

M.W.:
352.73

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
146.92

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4083716

Name:
(S)-1-[2'-Amino-2'-carboxyethyl]-3-((5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-ylShow More⌵

Mol. Formula:
C12H11N5O6S

M.W.:
353.32

5 activity values

Type:
Small molecule

AlogP:
-1.23

Polar Surface Area:
166.47

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4077177

Name:
(S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3Show More⌵

Mol. Formula:
C9H11N3O5

M.W.:
241.20

6 activity values

Type:
Small molecule

AlogP:
-2.02

Polar Surface Area:
127.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4075364

Name:
(S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidiShow More⌵

Mol. Formula:
C10H14N4O4

M.W.:
254.25

6 activity values

Type:
Small molecule

AlogP:
-2.11

Polar Surface Area:
121.42

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4066795

Name:
(S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]-pyrimidin-2,4(1HShow More⌵

Mol. Formula:
C9H12N4O4

M.W.:
240.22

6 activity values

Type:
Small molecule

AlogP:
-2.45

Polar Surface Area:
130.21

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3786824

Name:
(S)-2-amino-3-(3-hydroxy-5-(2-(pyridin-4-ylmethyl)-2H-tetrazol-5-yl)isoxazoShow More⌵

Mol. Formula:
C13H13N7O4

M.W.:
331.29

18 activity values

8 unique targets

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
166.07

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3786380

Name:
(S)-2-amino-3-(3-hydroxy-5-(2-(3-(methylsulfonyl)benzyl)-2H-tetrazol-5-yl)iShow More⌵

Mol. Formula:
C15H16N6O6S

M.W.:
408.40

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
-0.56

Polar Surface Area:
187.32

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2441073

Name:
7-Cyano-4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1-Dioxide

Mol. Formula:
C11H11N3O2S

M.W.:
249.29

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
73.20

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2441072

Name:
4-Cyclopropyl-3,4-dihydro-7-nitro-2H-1,2,4-benzothiadiazine-1,1-Dioxide

Mol. Formula:
C10H11N3O4S

M.W.:
269.28

Type:
Small molecule

AlogP:
0.81

Polar Surface Area:
92.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2441071

Name:
4-Cyclopropyl-7-trifluoromethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-DShow More⌵

Mol. Formula:
C11H11F3N2O2S

M.W.:
292.28

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA2441070

Name:
4-Cyclopropyl-7-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1-Dioxide

Mol. Formula:
C11H14N2O2S

M.W.:
238.31

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA2441069

Name:
7-Bromo-4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1-dioxide

Mol. Formula:
C10H11BrN2O2S

M.W.:
303.18

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2441066

Name:
4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1-Dioxide

Mol. Formula:
C10H12N2O2S

M.W.:
224.28

5 activity values