Compounds

Type:
---

AlogP:
2.21

Polar Surface Area:
88.20

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5202756

Name:
N-{3-[(4-Carbamimidamidobenzoyl)oxy]benzoyl}-L-aspartic Acid TrifluoroacetiShow More⌵

Mol. Formula:
C21H19F3N4O9

M.W.:
528.40

3 unique targets

Type:
---

AlogP:
0.87

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5202535

Name:
N2-({4-[(4-Carbamimidamidobenzoyl)oxy]phenyl}acetyl)-L-asparagine TrifluoroShow More⌵

Mol. Formula:
C22H22F3N5O8

M.W.:
541.44

Type:
---

AlogP:
0.20

Polar Surface Area:
197.69

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5200092

Name:
N-{4-[(4-Carbamimidamidobenzoyl)oxy]benzoyl}-L-aspartic Acid TrifluoroacetiShow More⌵

Mol. Formula:
C21H19F3N4O9

M.W.:
528.40

Type:
---

AlogP:
0.87

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5190122

Name:
5-methylisoxazol-3-yl 4-guanidinobenzoate Hydrochloride

Mol. Formula:
C12H13ClN4O3

M.W.:
296.71

Type:
---

AlogP:
1.51

Polar Surface Area:
114.23

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5189108

Name:
N-({4-[(4-Carbamimidamido-2-fluorobenzoyl)oxy]phenyl}acetyl)-L-aspartic AciShow More⌵

Mol. Formula:
C20H19FN4O7

M.W.:
446.39

Type:
---

AlogP:
0.94

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5188778

Name:
N-({4-[(4-Carbamimidamido-3-methylbenzoyl)oxy]phenyl}acetyl)-L-aspartic AciShow More⌵

Mol. Formula:
C21H22N4O7

M.W.:
442.43

Type:
---

AlogP:
1.11

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5182789

Name:
N-({4-[(4-Carbamimidamido-2-methylbenzoyl)oxy]phenyl}acetyl)-L-aspartic AciShow More⌵

Mol. Formula:
C21H22N4O7

M.W.:
442.43

Type:
---

AlogP:
1.11

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5182597

Name:
N-({3-[(4-Carbamimidamidobenzoyl)oxy]phenyl}acetyl)-L-aspartic Acid TrifluoShow More⌵

Mol. Formula:
C22H21F3N4O9

M.W.:
542.42

3 unique targets

Type:
---

AlogP:
0.80

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5182234

Name:
N-({4-[(4-Carbamimidamido-2-chlorobenzoyl)oxy]phenyl}acetyl)-L-aspartic AciShow More⌵

Mol. Formula:
C20H19ClN4O7

M.W.:
462.85

Type:
---

AlogP:
1.45

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5179372

Name:
(5S)-3-{3-[(4-Carbamimidamidobenzoyl)oxy]phenyl}-5-(carboxymethyl)-4,5-dihyShow More⌵

Mol. Formula:
C20H18N4O7

M.W.:
426.39

Type:
---

AlogP:
1.63

Polar Surface Area:
184.39

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5173692

Name:
N-({4-[(4-Carbamimidamidobenzoyl)oxy]phenyl}acetyl)glycine Trifluoroacetic Show More⌵

Mol. Formula:
C20H19F3N4O7

M.W.:
484.39

Type:
---

AlogP:
0.95

Polar Surface Area:
154.60

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5170585

Name:
N-({(3R)-6-[(4-Carbamimidamidobenzoyl)oxy]-2,3-dihydro-1-benzofuran-3-yl}acShow More⌵

Mol. Formula:
C22H22N4O8

M.W.:
470.44

Type:
---

AlogP:
1.12

Polar Surface Area:
201.13

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5170208

Name:
N-({4-[(4-Carbamimidamidobenzoyl)oxy]phenyl}acetyl)-L-glutamic Acid trifluoShow More⌵

Mol. Formula:
C23H23F3N4O9

M.W.:
556.45

Type:
---

AlogP:
1.19

Polar Surface Area:
191.90

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5169835

Name:
N-({6-[(4-Carbamimidamidobenzoyl)oxy]-2,3-dihydro-1-benzofuran-2-yl}acetyl)Show More⌵

Mol. Formula:
C22H22N4O8

M.W.:
470.44

Type:
---

AlogP:
0.95

Polar Surface Area:
201.13

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4878952

Name:
2-(8-(4-(N-cyanocarbamimidoyl)benzoyloxy)-[1,2,4]triazolo[1,5-a]pyridin-5-yShow More⌵

Mol. Formula:
C17H12N6O4

M.W.:
364.32

6 activity values

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
153.46

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4878848

Name:
2,2'-(2-(8-(4-guanidinobenzoyloxy)-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetyShow More⌵

Mol. Formula:
C20H19N7O7

M.W.:
469.41

8 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.21

Polar Surface Area:
213.30

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4878466

Name:
2-(8-(4-(N-methoxycarbamimidoyl)benzoyloxy)-[1,2,4]triazolo[1,5-a]pyridin-5Show More⌵

Mol. Formula:
C17H15N5O5

M.W.:
369.34

6 activity values

Type:
Unknown

AlogP:
1.05

Polar Surface Area:
138.90

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4877158

Name:
3-(8-(4-guanidinobenzoyloxy)-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propanoic aShow More⌵

Mol. Formula:
C17H16N6O4

M.W.:
368.35

6 activity values

Type:
Unknown

AlogP:
1.27

Polar Surface Area:
155.69

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4873300

Name:
2-(8-(3-(prop-2-ynyloxy)prop-1-ynyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl)aceShow More⌵

Mol. Formula:
C14H11N3O3

M.W.:
269.26

8 activity values