Compounds

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
116.94

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2289102

Name:
4-methyl-3-phenyl-1-(2-(thiophen-3-yl)propan-2-yl)
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Mol. Formula:
C18H19NOS

M.W.:
297.42

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2289080

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-4-methyl-3
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Mol. Formula:
C20H19N3OS

M.W.:
349.46

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
46.09

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2289066

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-3-(2-hydro
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Mol. Formula:
C21H20N2O2S

M.W.:
364.47

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
53.43

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2288064

Name:
2-chloro-N-(1-(furan-2-yl)-2-methylprop-1-enyl)-N-
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Mol. Formula:
C13H18ClNO3

M.W.:
271.74

9 activity values

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
42.68

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2288059

Name:
2-chloro-N-(1-(3-(4-chlorophenoxy)phenyl)-2-methyl
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Mol. Formula:
C21H23Cl2NO3

M.W.:
408.33

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2288058

Name:
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-(4-pheno
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Mol. Formula:
C21H24ClNO3

M.W.:
373.88

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2288052

Name:
2-chloro-N-(1-(4-chlorophenyl)-2-methylprop-1-enyl
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Mol. Formula:
C15H19Cl2NO2

M.W.:
316.23

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2288050

Name:
2-chloro-N-(1-(2-chlorophenyl)-2-methylprop-1-enyl
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Mol. Formula:
C15H19Cl2NO2

M.W.:
316.23

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2288038

Name:
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-(pr
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Mol. Formula:
C17H20ClNO2

M.W.:
305.81

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2288037

Name:
2-chloro-N-(2-(cinnamyloxy)ethyl)-N-(2-methyl-1-ph
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Mol. Formula:
C23H26ClNO2

M.W.:
383.92

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2288033

Name:
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pro
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Mol. Formula:
C17H24ClNO2

M.W.:
309.84

9 activity values

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2288031

Name:
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-(me
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Mol. Formula:
C15H20ClNOS

M.W.:
297.85

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2288028

Name:
2-chloro-N-(3-methoxypropyl)-N-(2-methyl-1-phenylp
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Mol. Formula:
C16H22ClNO2

M.W.:
295.81

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2287867

Name:
N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)-2-methyli
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Mol. Formula:
C14H15N7O5S

M.W.:
393.39

6 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
149.70

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2287864

Name:
N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)-2-methylp
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Mol. Formula:
C14H15N7O5S

M.W.:
393.39

6 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
149.70

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2287863

Name:
N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)-2-methylp
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Mol. Formula:
C15H16N6O5S

M.W.:
392.40

6 unique targets

Type:
Small molecule

AlogP:
0.96

Polar Surface Area:
136.81

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2287830

Name:
(E/Z)-2-chloro-N-(2-methoxy-1-phenylvinyl)-N-(2-me
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Mol. Formula:
C14H18ClNO3

M.W.:
283.76