Compounds

ALA5287280

Name:
2,7-bis(4-(6-chloro-2-oxo-2H-chromen-3-yl)thiazol-
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Mol. Formula:
C38H14Cl2N4O8S2

M.W.:
789.59

Type:
---

AlogP:
8.21

Polar Surface Area:
160.96

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5286939

Name:
2-[4-[5,6-bis[(1E)-hexa-1,5-dienyl]-2-oxo-chromen-
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Mol. Formula:
C36H28N2O4S

M.W.:
584.70

Type:
---

AlogP:
8.83

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5285797

Name:
2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]benz
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Mol. Formula:
C24H11BrN2O4S

M.W.:
503.33

Type:
---

AlogP:
5.63

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5285566

Name:
[amino-[2-[6-[2-[[amino(azaniumylidene)methyl]amin
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Mol. Formula:
C18H22N8O2

M.W.:
382.43

Type:
---

AlogP:
-0.19

Polar Surface Area:
173.21

HBA:
5

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5283853

Name:
2-[4-(2-oxochromen-3-yl)thiazol-2-yl]benzo[de]isoq
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Mol. Formula:
C24H12N2O4S

M.W.:
424.44

Type:
---

AlogP:
4.87

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5283497

Name:
2-[4-(6,8-dichloro-2-oxo-chromen-3-yl)thiazol-2-yl
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Mol. Formula:
C24H10Cl2N2O4S

M.W.:
493.33

Type:
---

AlogP:
6.18

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5283184

Name:

Mol. Formula:
C38H12Cl4N4O8S2

M.W.:
858.48

Type:
---

AlogP:
9.51

Polar Surface Area:
160.96

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5281715

Name:

Mol. Formula:
C62H48N4O8S2

M.W.:
1041.22

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280756

Name:
6-((2-((2-aminoethyl)amino)ethyl)amino)-2-(2-(dime
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Mol. Formula:
C20H27N5O2

M.W.:
369.47

Type:
---

AlogP:
0.96

Polar Surface Area:
90.70

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5280694

Name:
6-((2-aminoethyl)amino)-2-(3-(dimethylamino)propyl
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Mol. Formula:
C19H24N4O2

M.W.:
340.43

Type:
---

AlogP:
1.76

Polar Surface Area:
78.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280239

Name:
2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(
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Mol. Formula:
C30H20N4O4+2

M.W.:
500.51

Type:
---

AlogP:
4.47

Polar Surface Area:
88.28

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5278938

Name:
2-(p-tolyl)-6,7-dihydrodipyrido[1,2-a:2',1'-c]pyra
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Mol. Formula:
C19H18N2+2

M.W.:
274.37

Type:
---

AlogP:
2.92

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA5278652

Name:
(E)-2-((2-hydroxy-3-methoxybenzylidene)amino)-1H-b
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Mol. Formula:
C20H14N2O4

M.W.:
346.34

Type:
---

AlogP:
3.18

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278299

Name:

Mol. Formula:
C38H14Br2N4O8S2

M.W.:
878.49

Type:
---

AlogP:
8.43

Polar Surface Area:
160.96

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5277915

Name:
2-[4-(6-chloro-2-oxo-chromen-3-yl)thiazol-2-yl]ben
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Mol. Formula:
C24H11ClN2O4S

M.W.:
458.88

Type:
---

AlogP:
5.52

Polar Surface Area:
80.48

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5277748

Name:
2-[4-(8-methoxy-2-oxo-chromen-3-yl)thiazol-2-yl]be
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Mol. Formula:
C25H14N2O5S

M.W.:
454.46

Type:
---

AlogP:
4.88

Polar Surface Area:
89.71

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5291106

Name:
6-((2-((2-((2-((2-aminoethyl)amino)ethyl)amino)eth
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Mol. Formula:
C24H37N7O2

M.W.:
455.61

Type:
---

AlogP:
0.14

Polar Surface Area:
114.76

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5290882

Name:
amino((2-((2-(3-(dimethylamino)propyl)-1,3-dioxo-2
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Mol. Formula:
C20H26N6O2

M.W.:
382.47

Type:
---

AlogP:
1.28

Polar Surface Area:
114.55

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5290404

Name:
1,1'-((4,9-dibromo-1,3,6,8-tetraoxo-1,3,6,8-tetrah
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Mol. Formula:
C26H22Br2I2N6O4

M.W.:
896.12

Type:
---

AlogP:
2.21

Polar Surface Area:
92.38

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5290067

Name:
2,7-bis(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)benz
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Mol. Formula:
C38H16N4O8S2

M.W.:
720.70

Type:
---

AlogP:
6.90

Polar Surface Area:
160.96

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.14

DETAILS