Compounds

ALA5280954

Name:

Mol. Formula:
C19H17ClN2O5S

M.W.:
420.87

Type:
---

AlogP:
3.14

Polar Surface Area:
102.26

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4099278

Name:
2-(5-(5-Hydroxypyridin-2-yl)pent-4-ynamido)cyclohe
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Mol. Formula:
C17H18N2O4

M.W.:
314.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
99.52

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4099238

Name:
2-(5-(2-Chlorophenyl)pent-4-ynamido)cyclohex-1-ene
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Mol. Formula:
C18H18ClNO3

M.W.:
331.80

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4096635

Name:
(E)-2-(5-(3-Hydroxyphenyl)pent-2-en-4-ynamido)cycl
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Mol. Formula:
C18H17NO4

M.W.:
311.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4101720

Name:
2-(5-(2-Hydroxyphenyl)pent-4-ynamido)cyclohex-1-en
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Mol. Formula:
C18H19NO4

M.W.:
313.35

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4100231

Name:
2-(3-(2'-Fluoro-[1,1'-biphenyl]-4-yl)propanamido)c
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Mol. Formula:
C22H22FNO3

M.W.:
367.42

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4093990

Name:
(E)-2-(5-(2-Fluoro-4-hydroxyphenyl)pent-2-en-4-yna
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Mol. Formula:
C18H16FNO4

M.W.:
329.33

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4093294

Name:
(E)-2-(5-(2-Chlorophenyl)pent-2-en-4-ynamido)cyclo
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Mol. Formula:
C18H16ClNO3

M.W.:
329.78

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4091542

Name:
2-(5-(4-Fluorophenyl)pent-4-ynamido)cyclohex-1-ene
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Mol. Formula:
C18H18FNO3

M.W.:
315.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4091501

Name:
2-(5-(3-Hydroxyphenyl)pent-4-ynamido)cyclohex-1-en
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Mol. Formula:
C18H19NO4

M.W.:
313.35

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4073374

Name:
2-(3-(2'-chlorobiphenyl-4-yl)propanamido)cyclohex-
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Mol. Formula:
C22H22ClNO3

M.W.:
383.88

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4073322

Name:
(E)-2-(5-(2-Fluorophenyl)pent-2-en-4-ynamido)cyclo
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Mol. Formula:
C18H16FNO3

M.W.:
313.33

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4072283

Name:
2-(5-(2-Fluorophenyl)pent-4-ynamido)cyclohex-1-ene
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Mol. Formula:
C18H18FNO3

M.W.:
315.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4069406

Name:
(E)-2-(5-(2-Hydroxyphenyl)pent-2-en-4-ynamido)cycl
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Mol. Formula:
C18H17NO4

M.W.:
311.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4063682

Name:
2-(5-(4-Hydroxyphenyl)pent-4-ynamido)cyclohex-1-en
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Mol. Formula:
C18H19NO4

M.W.:
313.35

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4060899

Name:
2-(5-(2-Fluoro-4-hydroxyphenyl)pent-4-ynamido)cycl
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Mol. Formula:
C18H18FNO4

M.W.:
331.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4083762

Name:
2-(3-(3'-Hydroxy-[1,1'-biphenyl]-4-yl)propanamido)
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Mol. Formula:
C22H23NO4

M.W.:
365.43

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4083723

Name:
(E)-2-(5-Phenylpent-2-enamido)cyclohex-1-ene-1-car
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Mol. Formula:
C18H21NO3

M.W.:
299.37

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4082765

Name:
2-(5-(2-Chloro-4-hydroxyphenyl)pent-4-ynamido)cycl
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Mol. Formula:
C18H18ClNO4

M.W.:
347.80

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4081260

Name:
4-(5-((2-Carboxycyclohex-1-en-1-yl)amino)-5-oxopen
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Mol. Formula:
C19H19NO5

M.W.:
341.36

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS