Compounds

ALA3682503

Name:
US8987314, B394

Mol. Formula:
C21H23FN4O6S3

M.W.:
542.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.90

Polar Surface Area:
165.39

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3682502

Name:
US8987314, B393

Mol. Formula:
C16H18F2N4O6S3

M.W.:
496.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
156.60

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3682501

Name:
US8987314, B390

Mol. Formula:
C21H26N4O7S3

M.W.:
542.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.39

Polar Surface Area:
178.52

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3682496

Name:
US8987314, B384

Mol. Formula:
C16H19N5O5S3

M.W.:
457.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.19

Polar Surface Area:
154.11

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3682495

Name:
US8987314, B383

Mol. Formula:
C17H17FN4O5S3

M.W.:
472.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.99

Polar Surface Area:
149.18

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3682494

Name:
US8987314, B382

Mol. Formula:
C22H30N4O7S3

M.W.:
558.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
165.83

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3682492

Name:
US8987314, B380

Mol. Formula:
C17H17FN4O5S3

M.W.:
472.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.99

Polar Surface Area:
149.18

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3682491

Name:
US8987314, B379

Mol. Formula:
C20H22N4O6S3

M.W.:
510.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
165.39

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3682490

Name:
US8987314, B378

Mol. Formula:
C20H23N3O6S3

M.W.:
497.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
145.52

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3682489

Name:
US8987314, B377

Mol. Formula:
C17H17FN4O5S3

M.W.:
472.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.99

Polar Surface Area:
149.18

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3682488

Name:
US8987314, B376

Mol. Formula:
C24H20F4N4O7S3

M.W.:
648.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
178.64

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3682487

Name:
US8987314, B375

Mol. Formula:
C19H18F4N4O6S3

M.W.:
570.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
169.41

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3682486

Name:
US8987314, B374

Mol. Formula:
C16H17N5O5S3

M.W.:
455.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
162.07

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3682483

Name:
US8987314, B371

Mol. Formula:
C20H22N4O6S3

M.W.:
510.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
165.39

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3682481

Name:
US8987314, B368

Mol. Formula:
C25H23F3N4O7S3

M.W.:
644.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
167.52

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3682478

Name:
US8987314, B365

Mol. Formula:
C25H21F4N3O6S3

M.W.:
631.65

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
145.52

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3682477

Name:
US8987314, B363

Mol. Formula:
C27H29FN4O7S3

M.W.:
636.75

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
178.52

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3682474

Name:
US8987314, B360

Mol. Formula:
C30H29F3N4O7S3

M.W.:
710.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
176.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3682473

Name:
US8987314, B359

Mol. Formula:
C29H25F5N4O6S3

M.W.:
716.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
156.60

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3682470

Name:
US8987314, B356

Mol. Formula:
C31H31F3N4O8S3

M.W.:
740.80

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
175.06

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS