Compounds

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4474163

Name:
(E)-2-(2-(Benzo[b]thiophen-2-ylmethylene)hydraziny
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Mol. Formula:
C18H12IN3S2

M.W.:
461.35

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
37.28

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4520262

Name:
(E)-2-(2-(Benzo[b]thiophen-2-ylmethylene)hydraziny
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Mol. Formula:
C19H15N3S2

M.W.:
349.48

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
37.28

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4534184

Name:
(E)-2-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)
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Mol. Formula:
C17H13Br2N3OS

M.W.:
467.19

Type:
Unknown

AlogP:
5.79

Polar Surface Area:
46.51

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4557974

Name:
(E)-2-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)
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Mol. Formula:
C17H14BrN3OS

M.W.:
388.29

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
46.51

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4554260

Name:
1-(3,4-Dimethoxy-5-(2-methoxy-4-(2-oxopropyl)pheno
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Mol. Formula:
C21H24O6

M.W.:
372.42

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4571489

Name:
(4R)-3-Hydroxy-4-methyl-2-(n-eicos-11'-yn-19'-enyl
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Mol. Formula:
C25H40O3

M.W.:
388.59

11 activity values

Type:
Unknown

AlogP:
7.17

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4567698

Name:
1-(4-(5-(1-Hydroxypropyl)-2,3-dimethoxyphenoxy)-3-
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Mol. Formula:
C21H28O6

M.W.:
376.45

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4527823

Name:
5-Allyl-1-(4-allyl-2-methoxyphenoxy)-2-butoxy-3-me
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Mol. Formula:
C24H30O4

M.W.:
382.50

Type:
Unknown

AlogP:
6.13

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4527675

Name:
(E)-4-([1,1'-biphenyl]-4-yl)-2-(2-(5-bromo-2-metho
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Mol. Formula:
C23H18BrN3OS

M.W.:
464.39

5 activity values

Type:
Unknown

AlogP:
6.69

Polar Surface Area:
46.51

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4516404

Name:
4-(3-Hydroxypropyl)-2-(4-(3-hydroxypropyl)-2-metho
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Mol. Formula:
C20H26O6

M.W.:
362.42

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
88.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5288331

Name:
Cruentaren B

Mol. Formula:
C33H51NO8

M.W.:
589.77

Type:
---

AlogP:
4.31

Polar Surface Area:
145.55

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4462994

Name:
1-(4-(5-(2-Hydroxypropyl)-2,3-dimethoxyphenoxy)-3-
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Mol. Formula:
C21H28O6

M.W.:
376.45

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4468948

Name:
(E)-2-(2-(Benzo[b]thiophen-2-ylmethylene)hydraziny
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Mol. Formula:
C18H12FN3S2

M.W.:
353.45

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
37.28

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4465175

Name:
5-Allyl-1-(4-allyl-2-methoxyphenoxy)-2-(allyloxy)-
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Mol. Formula:
C23H26O4

M.W.:
366.46

6 activity values

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4464751

Name:
(2S,3R,4R)-3-hydroxy-4-methyl-2-(n-eicos-11'-yn-19
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Mol. Formula:
C25H42O3

M.W.:
390.61

5 activity values

Type:
Unknown

AlogP:
6.34

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4464299

Name:
3-Hydroxy-4-methylene-2-(n-eicos-11'-yn-19'-enyl)b
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Mol. Formula:
C25H38O3

M.W.:
386.58

11 activity values

Type:
Unknown

AlogP:
7.30

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4095247

Name:
(3R,6S,9S,12S,15S,18S,24R,27S,30R,33S,36S,39S,42S,
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Mol. Formula:
C131H213N35O38S6

M.W.:
3078.75

5 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4519104

Name:
(E)-2-(2-(Benzo[b]thiophen-2-ylmethylene)hydraziny
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Mol. Formula:
C18H12ClN3S2

M.W.:
369.90

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
37.28

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4648751

Name:
6-carboxyethyl-3-cyano-5-(4-bromobenzoyl)-1,2-dihy
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Mol. Formula:
C16H11BrN2O4

M.W.:
375.18