Compounds

ALA212069

Name:
2-oxo-N-(2-(2-oxo-2H-chromene-3-carboxamido)phenyl)-2H-chromene-3-carboxamiShow More⌵

Mol. Formula:
C26H16N2O6

M.W.:
452.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
118.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA212068

Name:
2-oxo-N-(6-(2-oxo-2H-chromene-3-carboxamido)hexyl)-2H-chromene-3-carboxamidShow More⌵

Mol. Formula:
C26H24N2O6

M.W.:
460.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
118.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA212555

Name:
7-methoxy-N-(4-(7-methoxy-2-oxo-2H-chromene-3-carboxamido)butyl)-2-oxo-2H-cShow More⌵

Mol. Formula:
C26H24N2O8

M.W.:
492.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
137.08

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA212501

Name:
2-oxo-N-(4-(2-oxo-2H-chromene-3-carboxamido)butyl)-2H-chromene-3-carboxamidShow More⌵

Mol. Formula:
C24H20N2O6

M.W.:
432.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
118.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA213141

Name:
2-oxo-N-(2-(2-oxo-2H-chromene-3-carboxamido)ethyl)-2H-chromene-3-carboxamidShow More⌵

Mol. Formula:
C22H16N2O6

M.W.:
404.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
118.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA378988

Name:
2-oxo-N-((1S,2S)-2-(2-oxo-2H-chromene-3-carboxamido)cyclohexyl)-2H-chromeneShow More⌵

Mol. Formula:
C26H22N2O6

M.W.:
458.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
118.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA211141

Name:
2-oxo-N-(4-(2-oxo-2H-chromene-3-carboxamido)phenyl)-2H-chromene-3-carboxamiShow More⌵

Mol. Formula:
C26H16N2O6

M.W.:
452.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
118.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA331650

Name:
1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone

Mol. Formula:
C18H18N2O3

M.W.:
310.35

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
73.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA331960

Name:
1-(3-Phenyl-5-m-tolyl-4,5-dihydro-pyrazol-1-yl)-ethanone

Mol. Formula:
C18H18N2O

M.W.:
278.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
32.67

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA121432

Name:
1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone

Mol. Formula:
C18H18N2O3

M.W.:
310.35

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
73.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA331009

Name:
1-[3-(2-Hydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone

Mol. Formula:
C18H18N2O2

M.W.:
294.35

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
52.90

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA332286

Name:
1-[5-(4-Chloro-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone

Mol. Formula:
C17H15ClN2O

M.W.:
298.77

14 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
32.67

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA120717

Name:
1-[3-(2-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone

Mol. Formula:
C18H18N2O2

M.W.:
294.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
52.90

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA281325

Name:
2-(3,4-Dimethoxy-2-methylsulfanyl-phenyl)-ethylamine

Mol. Formula:
C11H17NO2S

M.W.:
227.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
44.48

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA27293

Name:
2-(2,4-Dimethoxy-3-methylsulfanyl-phenyl)-ethylamine

Mol. Formula:
C11H17NO2S

M.W.:
227.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
44.48

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA27183

Name:
2-(2,3-Dimethoxy-4-methylsulfanyl-phenyl)-ethylamine

Mol. Formula:
C11H17NO2S

M.W.:
227.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
44.48

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS