Compounds

ALA4567317

Name:
(9H-fluoren-9-yl)methyl (S)-5-amino-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guaniShow More⌵

Mol. Formula:
C33H35N7O5S

M.W.:
641.75

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
202.38

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4562796

Name:
(9H-fluoren-9-yl)methyl (S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oShow More⌵

Mol. Formula:
C34H39N9O4S

M.W.:
669.81

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
221.19

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4562668

Name:
(9H-fluoren-9-yl)methyl (S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oShow More⌵

Mol. Formula:
C31H32N6O4S

M.W.:
584.70

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
159.29

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4548036

Name:
(S)-(9H-fluoren-9-yl)methyl 2-(1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopeShow More⌵

Mol. Formula:
C30H30N6O4S

M.W.:
570.68

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
159.29

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4540950

Name:
(S)-2-((S)-2-acetamido-3-hydroxypropanamido)-6-amino-N-((S)-1-((S)-1-(benzoShow More⌵

Mol. Formula:
C30H47N9O6S

M.W.:
661.83

9 activity values

6 unique targets

Type:
Unknown

AlogP:
-0.13

Polar Surface Area:
254.51

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4469801

Name:
(9H-fluoren-9-yl)methyl (S)-6-amino-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guaniShow More⌵

Mol. Formula:
C34H39N7O4S

M.W.:
641.80

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
185.31

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4454016

Name:
(S)-2-((S)-2-acetamido-6-aminohexanamido)-N1-((S)-1-((S)-1-(benzo[d]thiazolShow More⌵

Mol. Formula:
C32H50N10O6S

M.W.:
702.88

9 activity values

6 unique targets

Type:
Unknown

AlogP:
0.14

Polar Surface Area:
277.37

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4130324

Name:
N-(4-carbamimidoylphenyl)-2-(4-methylphenylsulfonamido)-2-(tetrahydro-2H-pyShow More⌵

Mol. Formula:
C21H26N4O4S

M.W.:
430.53

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
134.37

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4130180

Name:
(R)-N-(2-(4-carbamimidoylphenylamino)-1-cyclohexyl-2-oxoethyl)-4-methylbenzShow More⌵

Mol. Formula:
C23H28N4O2

M.W.:
392.50

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
108.07

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4130135

Name:
(R)-N-(4-Carbamimidoylphenyl)-2-cyclohexyl-2-((4-methylphenyl)sulfonamido)aShow More⌵

Mol. Formula:
C22H28N4O3S

M.W.:
428.56

39 activity values

17 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4129836

Name:
(R)-N-(4-Carbamimidoylphenyl)-2-((4-methylphenyl)sulfonamido)-2-phenylacetaShow More⌵

Mol. Formula:
C22H22N4O3S

M.W.:
422.51

41 activity values

17 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4129630

Name:
(R)-ethyl 4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamiShow More⌵

Mol. Formula:
C32H47N5O5S

M.W.:
613.83

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
145.89

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4129512

Name:
N-(4-carbamimidoylphenyl)-4-methyl-2-(4-methylphenylsulfonamido)pentanamide

Mol. Formula:
C20H26N4O3S

M.W.:
402.52

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4129196

Name:
(R)-N-(4-carbamimidoylphenyl)-2-cyclohexyl-2-(phenylsulfonamido)acetamide

Mol. Formula:
C21H26N4O3S

M.W.:
414.53

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4128554

Name:
(R)-N-(4-Carbamimidoylphenyl)-2-cyclohexyl-2-((4-fluorophenyl)-sulfonamido)Show More⌵

Mol. Formula:
C21H25FN4O3S

M.W.:
432.52

38 activity values

17 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4128515

Name:
(R)-N-(4-carbamimidoylphenyl)-2-cyclohexyl-2-(3-p-tolylureido)acetamide

Mol. Formula:
C23H29N5O2

M.W.:
407.52

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
120.10

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4128512

Name:
N-(4-carbamimidoylphenyl)-2-(4-methylphenylsulfonamido)-4-phenylbutanamide

Mol. Formula:
C24H26N4O3S

M.W.:
450.56

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4128356

Name:
1-((S)-3-(3-carbamimidoylphenyl)-2-(naphthalene-2-sulfonamido)propanoyl)-N-Show More⌵

Mol. Formula:
C31H33N5O4S2

M.W.:
603.77

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
145.45

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4128355

Name:
N-(4-carbamimidoylphenyl)-2-(4-methylphenylsulfonamido)-2-phenylacetamide

Mol. Formula:
C22H22N4O3S

M.W.:
422.51

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4128139

Name:
N-(4-carbamimidoylphenyl)-3-methyl-2-(4-methylphenylsulfonamido)butanamide

Mol. Formula:
C19H24N4O3S

M.W.:
388.49

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
125.14

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS