Compounds

ALA3218306

Name:
kodaistatin C

Mol. Formula:
C36H36O12

M.W.:
660.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
219.12

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3218305

Name:
Kodaistatin A

Mol. Formula:
C36H36O11

M.W.:
644.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
198.89

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3218304

Name:
4-(4-(3-chloro-2-hydroxy-4-(1-hydroxy-2-methoxy-3,6-dimethyl-4-oxocyclohexaShow More⌵

Mol. Formula:
C38H37ClO14

M.W.:
753.15

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
212.42

HBA:
13

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3218303

Name:
Thielavin G

Mol. Formula:
C30H32O10

M.W.:
552.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
148.82

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3218302

Name:
(1S,3R,4R,5R)-1-(((1R,2S)-2-(4-chlorophenyl)cyclopropyl)methoxy)-3,4-dihydrShow More⌵

Mol. Formula:
C26H27ClO8

M.W.:
502.95

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
133.52

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA235387

Name:
3,8-dihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Mol. Formula:
C16H10O6

M.W.:
298.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
111.90

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

S-4048

Name:
(1S,3R,4R,5R)-3-((Z)-3-(1H-imidazo[4,5-b]pyridin-1-yl)-3-phenylacryloyloxy)Show More⌵

Mol. Formula:
C32H30ClN3O7

M.W.:
604.06

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
144.00

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA238371

Name:
1-(2-(5-carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl)-3,8-dihydroxy-9,10-diShow More⌵

Mol. Formula:
C28H20O12

M.W.:
548.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
223.80

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA236656

Name:
8-hydroxy-3-methoxy-9,10-dioxo-1-(phenylthiomethyl)-9,10-dihydroanthracene-Show More⌵

Mol. Formula:
C23H16O6S

M.W.:
420.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA236455

Name:
1-benzyl-8-hydroxy-3-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicShow More⌵

Mol. Formula:
C23H16O6

M.W.:
388.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
100.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA391290

Name:
5,11-dihydroxy-2-(naphthalen-1-yl)-1,2-dihydronaphtho[2,3-f]isochromene-4,7Show More⌵

Mol. Formula:
C27H16O6

M.W.:
436.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA237509

Name:
1-(2-(but-3-enyloxy)styryl)-3,8-dimethoxy-9,10-dioxo-9,10-dihydroanthraceneShow More⌵

Mol. Formula:
C29H24O7

M.W.:
484.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
99.13

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA237297

Name:
8-hydroxy-3-methoxy-9,10-dioxo-1-styryl-9,10-dihydroanthracene-2-carboxylicShow More⌵

Mol. Formula:
C24H16O6

M.W.:
400.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
100.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA394076

Name:
2-hydroxy-6-(1-(2-hydroxy-6-(1-methoxyhexyl)phenyl)vinyl)benzoic acid

Mol. Formula:
C22H26O5

M.W.:
370.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
86.99

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA235796

Name:
(E)-8-hydroxy-3-methoxy-1-(oct-1-enyl)-9,10-dioxo-9,10-dihydroanthracene-2-Show More⌵

Mol. Formula:
C24H24O6

M.W.:
408.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
100.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA235795

Name:
(E)-1-(but-1-enyl)-8-hydroxy-3-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-Show More⌵

Mol. Formula:
C20H16O6

M.W.:
352.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
100.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA396071

Name:
3,8-dihydroxy-1-(3-methylpentyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxShow More⌵

Mol. Formula:
C21H20O6

M.W.:
368.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
111.90

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA235587

Name:
1-butyl-3,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Mol. Formula:
C19H16O6

M.W.:
340.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
111.90

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS