Compounds

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
69.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4782554

Name:
Rac-syn-3-lodo-2,3-dihydro-2-(5'-methoxy-2'-nitropheny1)-3-nitro-4H-1-benzoShow More⌵

Mol. Formula:
C16H11IN2O7

M.W.:
470.18

3 activity values

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
121.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4782068

Name:
Rac-syn-3-bromo-2,3-dihydro-3-nitro-2-(2'-nitropheny1)-4H-1-benzopyran-4-onShow More⌵

Mol. Formula:
C15H9BrN2O6

M.W.:
393.15

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
112.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4776390

Name:
2,3-Dihydro-2-(5-methoxy-2-nitropheny1)-3-nitro-4H-1-benzopyran-4-one

Mol. Formula:
C16H12N2O7

M.W.:
344.28

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
121.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4762096

Name:
2,3-Dihydro-3-nitro-2-(2'-nitropheny1)-4H-1-benzopyran-4-one

Mol. Formula:
C15H10N2O6

M.W.:
314.25

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
112.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4761671

Name:
3-chloro-3-nitro-2-(2-nitrophenyl)chroman-4-one

Mol. Formula:
C15H9ClN2O6

M.W.:
348.70

4 activity values

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
112.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4757027

Name:
Rac-anti-3-Bromo-2,3-dihydro-2-(5'-methoxy-2'-nitropheny1)-3-nitro-4H-1-benShow More⌵

Mol. Formula:
C16H11BrN2O7

M.W.:
423.18

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
121.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4755532

Name:
Rac-3-iodo-3-nitro-2-(2-nitrophenyl)chroman-4-one

Mol. Formula:
C15H9IN2O6

M.W.:
440.15

3 activity values

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
112.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4755206

Name:
3-methyl-3-nitro-2-(2-nitrophenyl)chroman-4-one

Mol. Formula:
C16H12N2O6

M.W.:
328.28

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
112.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4752219

Name:
trans-2,3-Dihydro-2-phenyl-3-nitro-4H-1-benzopyran-4-one

Mol. Formula:
C15H11NO4

M.W.:
269.26

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
69.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4748200

Name:
Rac-syn-3-bromo-2,3-dihydro-2-(5'-methoxy-2'-nitropheny1)-3-nitro-4H-1-benzShow More⌵

Mol. Formula:
C16H11BrN2O7

M.W.:
423.18

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
121.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4745197

Name:
3-chloro-2-(5-methoxy-2-nitrophenyl)-3-nitrochroman-4-one

Mol. Formula:
C16H11ClN2O7

M.W.:
378.72

3 activity values

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
121.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4741457

Name:
Rac-syn-3-Bromo-2,3-dihydro-2-(2'-fluoropheny1)-3-nitro-4H-1-benzopyran-4-oShow More⌵

Mol. Formula:
C15H9BrFNO4

M.W.:
366.14

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
69.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4647636

Name:
3-[3-(1H-benzimidazol-2-yl)phenyl]-N-(1H-indazol-6-ylmethyl)-N-methyl-propaShow More⌵

Mol. Formula:
C25H23N5O

M.W.:
409.49

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
77.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4647360

Name:
3-(3-(6-amino-9H-purin-8-yl)phenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamShow More⌵

Mol. Formula:
C21H21N7O

M.W.:
387.45

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
113.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4647309

Name:
N-((1H-benzo[d]imidazol-2-yl)methyl)-3-(3-(6-amino-9H-purin-8-yl)phenyl)-N-Show More⌵

Mol. Formula:
C23H22N8O

M.W.:
426.48

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
129.47

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4647111

Name:
2-chloro-5-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]Show More⌵

Mol. Formula:
C17H14ClN5O3S

M.W.:
403.85

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
110.00

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4645141

Name:
3-(3-(6-amino-9H-purin-8-yl)phenyl)-N-methyl-N-((4-oxo-3,4-dihydrothieno[3,Show More⌵

Mol. Formula:
C22H20N8O2S

M.W.:
460.52

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
146.54

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4644275

Name:
3-[[2-(2,6-difluorophenyl)acetyl]amino]-N-(4-pyridyl)propanamide

Mol. Formula:
C16H15F2N3O2

M.W.:
319.31