Compounds

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4476621

Name:
4-(3,4-Dichlorophenyl)-1-(2-hydroxybenzoyl)-3-thio
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Mol. Formula:
C14H11Cl2N3O2S

M.W.:
356.23

97 activity values

32 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4476543

Name:
1-Benzoyl-4-(4-fluorophenyl)-3-thiosemicarbazide

Mol. Formula:
C14H12FN3OS

M.W.:
289.33

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA4537709

Name:
4-(3,4-Dichlorophenyl)-1-(4-fluorobenzoyl)-3-thios
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Mol. Formula:
C14H10Cl2FN3OS

M.W.:
358.23

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4537639

Name:
ethyl 2-(3-(aminomethyl)phenyl)-4-bromobenzo[d]oxa
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Mol. Formula:
C17H15BrN2O3

M.W.:
375.22

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
78.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4537115

Name:
1-(2-Hydroxybenzoyl)-4-(3-morpholinopropyl)-3-thio
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Mol. Formula:
C15H22N4O3S

M.W.:
338.43

11 activity values

Type:
Unknown

AlogP:
0.22

Polar Surface Area:
85.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4524762

Name:
1-(2-Hydroxybenzoyl)-4-(4-methoxyphenyl)-3-thiosem
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Mol. Formula:
C15H15N3O3S

M.W.:
317.37

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
82.62

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4521270

Name:
1-(4-Hydroxybenzoyl)-4-(4-nitrophenyl)-3-thiosemic
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Mol. Formula:
C14H12N4O4S

M.W.:
332.34

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
116.53

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4535288

Name:
1-(2-Hydroxybenzoyl)-4-(4-acetylphenyl)-3-thiosemi
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Mol. Formula:
C16H15N3O3S

M.W.:
329.38

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
90.46

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4531935

Name:
4-(4-Fluorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemi
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Cas Number:
343-70-4

Mol. Formula:
C14H12FN3O2S

M.W.:
305.33

26 activity values

7 unique targets

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4566999

Name:
4-(2,4-Dichlorophenyl)-1-(2-hydroxybenzoyl)-3-thio
Show More⌵

Mol. Formula:
C14H11Cl2N3O2S

M.W.:
356.23

15 activity values

6 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4515860

Name:
1-Benzoyl-4-(3-fluorophenyl)-3-thiosemicarbazide

Mol. Formula:
C14H12FN3OS

M.W.:
289.33

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA4515707

Name:
4-(3-Fluorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemi
Show More⌵

Mol. Formula:
C14H12FN3O2S

M.W.:
305.33

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4547125

Name:
1-(2-Hydroxybenzoyl)-4-(2-methoxyphenyl)-3-thiosem
Show More⌵

Mol. Formula:
C15H15N3O3S

M.W.:
317.37

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
82.62

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4581230

Name:
1-(2-Hydroxybenzoyl)-4-(pyridin-3-yl)-3-thiosemica
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Mol. Formula:
C13H12N4O2S

M.W.:
288.33

11 activity values

Type:
Unknown

AlogP:
1.42

Polar Surface Area:
86.28

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4578193

Name:
1-Benzoyl-4-(3,4-dichlorophenyl)-3-thiosemicarbazi
Show More⌵

Mol. Formula:
C14H11Cl2N3OS

M.W.:
340.24

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4577259

Name:
4-(3,4-Dichlorophenyl)-1-(2-methoxybenzoyl)-3-thio
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Mol. Formula:
C15H13Cl2N3O2S

M.W.:
370.26

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
62.39

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4591078

Name:
1-(2-Hydroxybenzoyl)-4-(3-iodophenyl)-3-thiosemica
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Mol. Formula:
C14H12IN3O2S

M.W.:
413.24

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4461445

Name:
1-(2-Hydroxy-4-iodobenzoyl)-4-(3,4-dichlorophenyl)
Show More⌵

Mol. Formula:
C14H10Cl2IN3O2S

M.W.:
482.13

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
73.39

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4468544

Name:
1-Benzoyl-4-(2-fluorophenyl)-3-thiosemicarbazide

Mol. Formula:
C14H12FN3OS

M.W.:
289.33