Compounds

ALA3188304

Name:
SID161005215

Mol. Formula:
C22H28Cl2FNO2

M.W.:
428.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3188215

Name:
SID161005209

Mol. Formula:
C15H12N2OS

M.W.:
268.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
35.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3187847

Name:
SID161005198

Mol. Formula:
C21H27ClFNO2

M.W.:
379.90

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3187737

Name:
SID161005194

Mol. Formula:
C21H26Cl2FNO2

M.W.:
414.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3187465

Name:
SID161005193

Mol. Formula:
C21H26Cl2FNO2

M.W.:
414.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3187454

Name:
SID161005200

Mol. Formula:
C19H23ClFNO2

M.W.:
351.85

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3187190

Name:
SID161005189

Mol. Formula:
C20H24Cl2FNO2

M.W.:
400.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3185973

Name:
SID161005210

Cas Number:
222629-46-1

Mol. Formula:
C15H12N2OS

M.W.:
268.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
35.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3185710

Name:
SID161005201

Mol. Formula:
C21H26Cl3NO2

M.W.:
430.80

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3185234

Name:
SID161005202

Mol. Formula:
C15H23Cl2NO2

M.W.:
320.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3185219

Name:
SID161005213

Mol. Formula:
C22H22Cl2FNO2

M.W.:
422.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3185185

Name:
SID161005197

Mol. Formula:
C21H23ClFNO3

M.W.:
391.87

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3184860

Name:
SID160657792

Mol. Formula:
C23H24BrClFNO2

M.W.:
480.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3184400

Name:
SID161005214

Mol. Formula:
C23H24Cl2FNO2

M.W.:
436.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3184226

Name:
SID161005207

Mol. Formula:
C15H12N2S

M.W.:
252.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3183498

Name:
SID161005196

Mol. Formula:
C22H28ClNO3

M.W.:
389.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
39.72

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3183040

Name:
SID161005199

Mol. Formula:
C19H22Cl2FNO

M.W.:
370.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3183007

Name:
SID161005212

Cas Number:
380571-27-7

Mol. Formula:
C14H9FN2S

M.W.:
256.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3182577

Name:
SID161005208

Cas Number:
71541-39-4

Mol. Formula:
C14H9ClN2S

M.W.:
272.76

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
25.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3182531

Name:
SID161005190

Mol. Formula:
C19H22Cl2FNO2

M.W.:
386.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS