Compounds

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
71.81

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3965080

Name:
6-chloro-3-phenyl-2-(3,4,5-trimethoxybenzylthio)qu
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Mol. Formula:
C24H21ClN2O4S

M.W.:
468.96

63 activity values

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3962862

Name:
6,7-dimethoxy-2-(4-methoxybenzylthio)-3-phenylquin
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Mol. Formula:
C24H22N2O4S

M.W.:
434.52

9 activity values

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3962703

Name:
6-methyl-3-p-tolyl-2-(3,4,5-trimethoxybenzylthio)q
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Mol. Formula:
C26H26N2O4S

M.W.:
462.57

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3959977

Name:
3-(4-chlorophenyl)-6,7-dimethoxy-2-(3,4,5-trimetho
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Mol. Formula:
C26H25ClN2O6S

M.W.:
529.01

9 activity values

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
81.04

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3959539

Name:
6-chloro-2-(4-methoxybenzylthio)-3-(4-methoxypheny
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Mol. Formula:
C23H19ClN2O3S

M.W.:
438.94

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
53.35

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3955772

Name:
6,7-dimethoxy-2-(4-methoxybenzylthio)-3-p-tolylqui
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Mol. Formula:
C25H24N2O4S

M.W.:
448.54

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3954127

Name:
6-chloro-3-(4-chlorophenyl)-2-(4-methoxybenzylthio
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Mol. Formula:
C22H16Cl2N2O2S

M.W.:
443.36

Type:
Small molecule

AlogP:
5.99

Polar Surface Area:
44.12

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3951235

Name:
2-(4-methoxybenzylthio)-3-(4-methoxyphenyl)-6-meth
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Mol. Formula:
C24H22N2O3S

M.W.:
418.52

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
53.35

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3948250

Name:
3-benzyl-6-chloro-2-(4-methoxybenzylthio)quinazoli
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Mol. Formula:
C23H19ClN2O2S

M.W.:
422.94

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
44.12

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3947042

Name:
3-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-(4-methoxy
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Mol. Formula:
C26H26N2O6S

M.W.:
494.57

55 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
81.04

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3945396

Name:
6-chloro-2-(4-methoxybenzylthio)-3-(2-methoxypheny
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Mol. Formula:
C23H19ClN2O3S

M.W.:
438.94

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
53.35

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3944367

Name:
6,7-dimethoxy-2-(4-methoxybenzylthio)-3-(4-methoxy
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Mol. Formula:
C25H24N2O5S

M.W.:
464.54

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
71.81

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3942503

Name:
3-(2,4-dimethoxyphenyl)-2-(4-methoxybenzylthio)-6-
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Mol. Formula:
C25H24N2O4S

M.W.:
448.54

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3937758

Name:
6-chloro-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyben
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Mol. Formula:
C24H20Cl2N2O4S

M.W.:
503.41

Type:
Small molecule

AlogP:
6.01

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3936767

Name:
3-(2-methoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybe
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Mol. Formula:
C26H26N2O5S

M.W.:
478.57

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
71.81

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3936506

Name:
6-chloro-2-(4-methoxybenzylthio)-3-phenylquinazoli
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Mol. Formula:
C22H17ClN2O2S

M.W.:
408.91

6 activity values