Compounds

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
87.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3984076

Name:
US9073941, 545

Mol. Formula:
C19H24N4O5S

M.W.:
420.49

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
102.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3983553

Name:
US9073941, 1013

Mol. Formula:
C19H17N5O

M.W.:
331.38

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
85.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3983497

Name:
US9073941, 553

Mol. Formula:
C20H23N5O4S

M.W.:
429.50

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
110.33

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3983097

Name:
SL809::US9073941, 502

Mol. Formula:
C16H19BrN4O5S

M.W.:
459.32

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
123.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3981691

Name:
US9073941, 560

Mol. Formula:
C22H32N4O4S

M.W.:
448.59

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
93.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3981010

Name:
US9073941, 540

Mol. Formula:
C20H28N4O3S

M.W.:
404.54

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
84.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3980446

Name:
US9073941, 615

Mol. Formula:
C14H12ClN5O2

M.W.:
317.74

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
82.67

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3978673

Name:
US9073941, 555

Mol. Formula:
C19H25BrN4O3S

M.W.:
469.41

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
84.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3978318

Name:
SL827::US9073941, 500

Mol. Formula:
C15H17BrN4O4S

M.W.:
429.30

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
114.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3977238

Name:
US9073941, 1002

Mol. Formula:
C20H15N5O2S

M.W.:
389.44

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
100.67

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3976054

Name:
US9073941, 543

Mol. Formula:
C19H26N4O4S

M.W.:
406.51

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
93.53

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3975566

Name:
US9073941, 1009

Mol. Formula:
C20H16BrN5O2

M.W.:
438.29

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
96.74

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3975252

Name:
US9073941, 528

Mol. Formula:
C20H28N4O5S

M.W.:
436.53

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
102.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3973492

Name:
US9073941, 803

Mol. Formula:
C16H14N2O2

M.W.:
266.30

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
65.38

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3971377

Name:
US9073941, 807

Mol. Formula:
C19H18N4O2

M.W.:
334.38

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
83.06

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3971017

Name:
US9073941, 517

Mol. Formula:
C18H23FN4O3S

M.W.:
394.47

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
84.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3971002

Name:
US9073941, 549

Mol. Formula:
C17H24N4O3S2

M.W.:
396.54

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
84.30

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3970515

Name:
US9073941, 564

Mol. Formula:
C22H32N4O5S

M.W.:
464.59

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
102.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3970460

Name:
US9073941, 1007

Mol. Formula:
C21H18BrN5O2

M.W.:
452.31