Compounds

Type:
Small molecule

AlogP:
0.82

Polar Surface Area:
134.17

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2369351

Name:
SID125311411

Mol. Formula:
C25H24Cl2N4O2S

M.W.:
515.47

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
78.25

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2369347

Name:
SID125299455

Mol. Formula:
C25H25BrN4O2S

M.W.:
525.47

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
78.25

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2006859

Name:
SID125299478

Mol. Formula:
C16H17NO4

M.W.:
287.31

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
79.54

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2006389

Name:
SID125311426

Mol. Formula:
C23H25NO3

M.W.:
363.46

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2005851

Name:
SID125311369

Mol. Formula:
C20H15N5OS

M.W.:
373.44

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
86.46

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2005603

Name:
SID125299480

Mol. Formula:
C22H27NO3

M.W.:
353.46

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2004788

Name:
SID125299481

Mol. Formula:
C19H21NO4

M.W.:
327.38

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2004633

Name:
SID125311371

Mol. Formula:
C21H22BrClN2O5S

M.W.:
529.84

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2004574

Name:
SID125311430

Mol. Formula:
C16H19NO3

M.W.:
273.33

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
51.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA2004532

Name:
SID125299454

Mol. Formula:
C16H9N3O3S

M.W.:
323.33

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2004086

Name:
SID125299479

Mol. Formula:
C16H17NO3S

M.W.:
303.38

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2003000

Name:
SID125311415

Mol. Formula:
C12H12FNO4S

M.W.:
285.30

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
64.96

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2002850

Name:
SID125311543

Mol. Formula:
C20H22N2O5S

M.W.:
402.47

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2002363

Name:
SID125299475

Mol. Formula:
C12H17NO2

M.W.:
207.27

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2000943

Name:
SID125311532

Mol. Formula:
C17H22FN3O3

M.W.:
335.38

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
63.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2000484

Name:
SID125317297

Mol. Formula:
C12H17NO2

M.W.:
207.27

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2000060

Name:
SID125311421

Mol. Formula:
C14H8F3N3O2S2

M.W.:
371.37

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
71.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1999070

Name:
SID125311382

Mol. Formula:
C19H15ClN2O3

M.W.:
354.79

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
58.97

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1998719

Name:
SID125311420

Mol. Formula:
C13H16N2O2

M.W.:
232.28