Compounds

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1733740

Name:
SID104170256

Mol. Formula:
C18H19N3O

M.W.:
293.37

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
47.04

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1713420

Name:
SID99430885

Mol. Formula:
C20H22N2O2

M.W.:
322.41

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
44.24

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1701979

Name:
SID104170239

Mol. Formula:
C19H14ClNOS

M.W.:
339.85

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1591750

Name:
SID85281142

Mol. Formula:
C20H14ClNOS2

M.W.:
383.93

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
20.31

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1589740

Name:
SID85281135

Mol. Formula:
C19H12FNO

M.W.:
289.31

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1589702

Name:
SID85281164

Mol. Formula:
C20H15NOS2

M.W.:
349.48

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
20.31

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1511988

Name:
SID85281141

Mol. Formula:
C20H15N3O2S

M.W.:
361.43

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
54.34

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1511808

Name:
SID85281148

Mol. Formula:
C19H12ClNO

M.W.:
305.76

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1475828

Name:
SID85281171

Mol. Formula:
C21H17NO2S2

M.W.:
379.51

12 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1473390

Name:
SID85281117

Mol. Formula:
C23H20N2O

M.W.:
340.43

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
44.16

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1472548

Name:
SID85281156

Mol. Formula:
C18H13NOS3

M.W.:
355.51

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
20.31

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1435608

Name:
SID85281122

Mol. Formula:
C19H22N2O

M.W.:
294.40

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1433309

Name:
SID85281132

Mol. Formula:
C20H12N2O

M.W.:
296.33

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
45.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1394162

Name:
SID85281167

Mol. Formula:
C20H12F3NO

M.W.:
339.32

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1394006

Name:
SID85281166

Mol. Formula:
C21H18N2O

M.W.:
314.39

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1393959

Name:
SID85281120

Mol. Formula:
C22H24N2O8

M.W.:
444.44

Type:
Small molecule

AlogP:
-1.47

Polar Surface Area:
175.30

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1393925

Name:
SID85281151

Mol. Formula:
C19H14N2OS2

M.W.:
350.47

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
33.20

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1318434

Name:
SID85281165

Mol. Formula:
C20H12F3NO2

M.W.:
355.32

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1314635

Name:
SID85281121

Mol. Formula:
C25H36BrNO2

M.W.:
462.47