Compounds

Type:
---

AlogP:
4.95

Polar Surface Area:
72.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5219217

Name:
Depauperatin D; 2-formyl-7,8-methylenedioxy-1-[3,4-methylenedioxyphenyl]-3-Show More⌵

Mol. Formula:
C23H16O7

M.W.:
404.37

4 activity values

Type:
---

AlogP:
4.12

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5194032

Name:
6-chloro-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one

Mol. Formula:
C17H10ClN3O4S

M.W.:
387.80

2 activity values

2 unique targets

Type:
---

AlogP:
4.52

Polar Surface Area:
102.03

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5172172

Name:
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one

Mol. Formula:
C18H14N2O2S

M.W.:
322.39

2 activity values

2 unique targets

Type:
---

AlogP:
4.27

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4473074

Name:
1-ethyl-6,8-difluoro-7-(3-methyl-4-((5-methyl-2,3-dioxoindolin-1-yl)methyl)Show More⌵

Mol. Formula:
C27H26F2N4O5

M.W.:
524.52

9 activity values

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
103.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4469313

Name:
1-cyclopropyl-7-(4-((2,3-dioxoindolin-1-yl)methyl)piperazin-1-yl)-6-fluoro-Show More⌵

Mol. Formula:
C26H23FN4O5

M.W.:
490.49

18 activity values

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
103.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4465936

Name:
7-(4-((2,3-dioxoindolin-1-yl)methyl)-3-methylpiperazin-1-yl)-1-ethyl-6,8-diShow More⌵

Mol. Formula:
C26H24F2N4O5

M.W.:
510.50

9 activity values

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
103.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4447556

Name:
1-cyclopropyl-6-fluoro-7-(4-((5-methyl-2,3-dioxoindolin-1-yl)methyl)piperazShow More⌵

Mol. Formula:
C27H25FN4O5

M.W.:
504.52

18 activity values

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
103.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4218432

Name:
(1-((1-(3,4-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazShow More⌵

Mol. Formula:
C21H21N5O

M.W.:
359.43

10 activity values

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4218145

Name:
(1-(3,4-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl)methanol

Mol. Formula:
C18H18N2O

M.W.:
278.36

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4217297

Name:
(1-((1-Phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazol-4-yl)metShow More⌵

Mol. Formula:
C20H19N5O

M.W.:
345.41

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

(1,3-DIPHENYL-1H-PYRAZOL-4-YL)METHANOL

Name:
(1,3-Diphenyl-1H-pyrazol-4-yl)methanol

Mol. Formula:
C16H14N2O

M.W.:
250.30

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4209996

Name:
(3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol

Mol. Formula:
C16H12Cl2N2O

M.W.:
319.19

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4207964

Name:
(1-((3-Phenyl-1-(p-tolyl)-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazol-4-yl)metShow More⌵

Mol. Formula:
C20H19N5O

M.W.:
345.41

9 activity values

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4205958

Name:
(3-phenyl-1-p-tolyl-1H-pyrazol-4-yl)methanol

Mol. Formula:
C17H16N2O

M.W.:
264.33

6 activity values

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4203602

Name:
(1-((3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazShow More⌵

Mol. Formula:
C19H15Cl2N5O

M.W.:
400.27

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3585712

Name:
(Z)-3-(3-Bromo-4-hydroxybenzoyl)-5-(3,5-dibromo-4-hydroxybenzylidene)-4-(3,Show More⌵

Mol. Formula:
C24H11Br5O6

M.W.:
794.87

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
7.85

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3585711

Name:
(Z)-3-(3-Bromo-4-hydroxybenzoyl)-5-(3-bromo-4-hydroxybenzylidene)-4-(3,5-diShow More⌵

Mol. Formula:
C24H12Br4O6

M.W.:
715.97

29 activity values