Compounds

ALA5280335

Name:
N-[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-th
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Mol. Formula:
C16H17N5OS3

M.W.:
391.55

Type:
---

AlogP:
4.11

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5280182

Name:
4-ethyl-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadia
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Mol. Formula:
C15H15N5OS3

M.W.:
377.52

Type:
---

AlogP:
3.81

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5279052

Name:
N-[5-[(3,4-dimethylphenyl)methylsulfanyl]-1,3,4-th
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Mol. Formula:
C16H17N5OS3

M.W.:
391.55

Type:
---

AlogP:
4.11

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5277742

Name:
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-eth
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Mol. Formula:
C14H13N5OS3

M.W.:
363.49

Type:
---

AlogP:
3.50

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5286203

Name:
4-ethyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4
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Mol. Formula:
C14H12N6O3S3

M.W.:
408.49

Type:
---

AlogP:
3.40

Polar Surface Area:
123.80

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5286136

Name:
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-cyc
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Mol. Formula:
C15H13N5OS3

M.W.:
375.50

Type:
---

AlogP:
3.81

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5285592

Name:
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadi
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Mol. Formula:
C14H12ClN5OS3

M.W.:
397.94

Type:
---

AlogP:
4.15

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5285581

Name:
4-ethyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl
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Mol. Formula:
C14H13N5O2S2

M.W.:
347.43

Type:
---

AlogP:
2.78

Polar Surface Area:
89.89

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5285443

Name:
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-4-propy
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Mol. Formula:
C15H15N5OS3

M.W.:
377.52

Type:
---

AlogP:
3.89

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5284807

Name:
7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine
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Mol. Formula:
C18H22N4O2

M.W.:
326.40

Type:
---

AlogP:
1.78

Polar Surface Area:
61.82

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5291259

Name:
4-ethyl-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadia
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Mol. Formula:
C15H15N5OS3

M.W.:
377.52

Type:
---

AlogP:
3.81

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5291159

Name:
4-ethyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,
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Mol. Formula:
C14H12FN5OS3

M.W.:
381.48

Type:
---

AlogP:
3.64

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5290652

Name:
3-phenyl-N-[2-(2-pyrazol-1-ylthiazol-4-yl)ethyl]-1
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Mol. Formula:
C18H16N6OS

M.W.:
364.43

Type:
---

AlogP:
2.69

Polar Surface Area:
88.49

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5289614

Name:
6-chloro-N-[5-(cyclopentylmethylsulfanyl)-1,3,4-th
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Mol. Formula:
C16H16ClN3O3S2

M.W.:
397.91

Type:
---

AlogP:
4.45

Polar Surface Area:
73.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5288853

Name:
4-ethyl-N-[5-[(3-methoxyphenyl)methylsulfanyl]-1,3
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Mol. Formula:
C15H15N5O2S3

M.W.:
393.52

Type:
---

AlogP:
3.51

Polar Surface Area:
89.89

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5288579

Name:
4-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl
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Mol. Formula:
C15H15N5OS2

M.W.:
345.45

Type:
---

AlogP:
2.99

Polar Surface Area:
80.66

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5284277

Name:
N-[5-(cyclopentylmethylsulfanyl)-1,3,4-thiadiazol-
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Mol. Formula:
C16H21N5O2S2

M.W.:
379.51

Type:
---

AlogP:
2.88

Polar Surface Area:
81.93

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5283421

Name:
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-phe
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Mol. Formula:
C18H13N5OS3

M.W.:
411.54

Type:
---

AlogP:
4.60

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5283293

Name:
4-ethyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiaz
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Mol. Formula:
C14H13N5OS3

M.W.:
363.49

Type:
---

AlogP:
3.50

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5277576

Name:
N-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-4-ethyl-
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Mol. Formula:
C14H14N6OS2

M.W.:
346.44

Type:
---

AlogP:
2.82

Polar Surface Area:
92.69

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS