Compounds

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3827342

Name:
3-(4-Ethylphenyl)-5-(4-(N,N-dimethylamino)benzylid
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Mol. Formula:
C21H23N3OS

M.W.:
365.50

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3827065

Name:
3-(4-Ethylphenyl)-5-(2,3-dihydroxybenzylidene)-1-m
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Mol. Formula:
C19H18N2O3S

M.W.:
354.43

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3827688

Name:
3-(4-Methylphenyl)-5-(2,3-dihydroxybenzylidene)-1-
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Mol. Formula:
C18H16N2O3S

M.W.:
340.40

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3828713

Name:
3-(4-Methylphenyl)-5-(2,4-dihydroxybenzylidene)-1-
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Mol. Formula:
C18H16N2O3S

M.W.:
340.40

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3828498

Name:
3-Phenyl-5-(2,3-dihydroxybenzylidene)-1-methyl-2-t
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Mol. Formula:
C17H14N2O3S

M.W.:
326.38

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3827574

Name:
3-Phenyl-5-(2,4-dihydroxybenzylidene)-1-methyl-2-t
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Mol. Formula:
C17H14N2O3S

M.W.:
326.38

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3827497

Name:
3-Cyclohexyl-5-(4-(N,N-dimethylamino)benzylidene)-
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Mol. Formula:
C19H25N3OS

M.W.:
343.50

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3827481

Name:
3-Cyclohexyl-5-(2,3-dihydroxybenzylidene)-1-methyl
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Mol. Formula:
C17H20N2O3S

M.W.:
332.43

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3827421

Name:
3-Cyclohexyl-5-(2,4-dihydroxybenzylidene)-1-methyl
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Mol. Formula:
C17H20N2O3S

M.W.:
332.43

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
64.01

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1927160

Name:
2-(2-chlorophenyl)-2,3,7,8-tetrahydro-1Hpyrazolo[4
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Mol. Formula:
C15H12ClN3O3

M.W.:
317.73

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
69.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1927159

Name:
10-(3-Methoxybenzyl)-2-(2-methoxyphenyl)-2,3,8,9,1
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Mol. Formula:
C25H27ClN4O4

M.W.:
482.97

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
81.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1927158

Name:
2-(2-Methoxyphenyl)-10-(pyridin-2-ylmethyl)-2,3,8,
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Mol. Formula:
C23H24ClN5O3

M.W.:
453.93

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
85.15

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1927157

Name:
2-(2-Chlorophenyl)-10-(pyridin-2-ylmethyl)-2,3,8,9
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Mol. Formula:
C22H21Cl2N5O2

M.W.:
458.35

21 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
75.92

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1927156

Name:
2-(2-Chlorophenyl)-10-(pyridin-3-ylmethyl)-2,3,8,9
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Mol. Formula:
C22H21Cl2N5O2

M.W.:
458.35

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
75.92

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1927155

Name:
2-(2-Chlorophenyl)-10-(furan-3-ylmethyl)-2,3,8,9,1
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Mol. Formula:
C21H20Cl2N4O3

M.W.:
447.32

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
76.17

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1927154

Name:
2-(2-Chlorophenyl)-10-(4-methoxybenzyl)-2,3,8,9,10
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Mol. Formula:
C24H24Cl2N4O3

M.W.:
487.39