Compounds

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
99.59

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4210636

Name:
(E)-N-(3-(2-amino-1H-imidazol-4-yl)allyl)-5-chloro
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Mol. Formula:
C15H14ClN5O

M.W.:
315.76

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
99.59

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4208517

Name:
(E)-N-(3-(2-amino-1H-imidazol-4-yl)allyl)-3,4-dibr
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Mol. Formula:
C12H13Br2N5O

M.W.:
403.08

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
99.59

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4207745

Name:
(E)-N-(3-(2-amino-1H-imidazol-4-yl)allyl)-4,5-dich
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Mol. Formula:
C11H11Cl2N5O

M.W.:
300.15

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
99.59

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4202870

Name:
(E)-N-(3-(2-amino-1H-imidazol-4-yl)allyl)-4-chloro
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Mol. Formula:
C12H14ClN5O

M.W.:
279.73

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
99.59

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3953745

Name:
4-(2-(4-fluorobenzyloxy)ethoxy)-7H-furo[3,2-g]chro
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Mol. Formula:
C20H16O5

M.W.:
336.34

3 activity values

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3906400

Name:
4-(3-phenoxypropoxy)-7H-furo[3,2-g]chromen-7-one

Cas Number:
870653-46-6

Mol. Formula:
C20H16O5

M.W.:
336.34

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA539871

Name:
Triethyl-(2,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chro
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Mol. Formula:
C21H28ClNO3

M.W.:
377.91

5 activity values

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
43.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA263538

Name:
3-Phenyl-furo[3,2-g]chromen-7-one

Cas Number:
68454-20-6

Mol. Formula:
C17H10O3

M.W.:
262.26

14 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
43.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA140034

Name:
3,5-Dimethyl-furo[3,2-g]chromen-7-one

Cas Number:
15183-96-7

Mol. Formula:
C13H10O3

M.W.:
214.22

9 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
43.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA342911

Name:
4,9-Diethoxy-furo[3,2-g]chromen-7-one

Mol. Formula:
C15H14O5

M.W.:
274.27

8 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA139604

Name:
9-Methoxy-2,3-dihydro-furo[3,2-g]chromen-7-one

Cas Number:
3779-03-1

Mol. Formula:
C12H10O4

M.W.:
218.21

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA345067

Name:
3-Methyl-2,3-dihydro-furo[3,2-g]chromen-7-one

Mol. Formula:
C12H10O3

M.W.:
202.21

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA141791

Name:
5-Hydroxymethyl-3-methyl-furo[3,2-g]chromen-7-one

Mol. Formula:
C13H10O4

M.W.:
230.22

6 activity values

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA343787

Name:
3,5-Dimethyl-2,3-dihydro-furo[3,2-g]chromen-7-one

Mol. Formula:
C13H12O3

M.W.:
216.24

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA141214

Name:
4-Methoxy-9-methoxymethyl-furo[3,2-g]chromen-7-one

Mol. Formula:
C14H12O5

M.W.:
260.24

8 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA140877

Name:
4-Allyloxymethyl-9-methoxy-furo[3,2-g]chromen-7-on
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Mol. Formula:
C16H14O5

M.W.:
286.28

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA141099

Name:
3-Methoxymethyl-2,5,9-trimethyl-furo[3,2-g]chromen
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Cas Number:
62442-60-8

Mol. Formula:
C16H16O4

M.W.:
272.30

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
52.58

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA342694

Name:
3-Ethoxymethyl-2,5,9-trimethyl-furo[3,2-g]chromen-
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Mol. Formula:
C17H18O4

M.W.:
286.33

5 activity values