Compounds

ALA4755457

Name:
Jujubogenin

Mol. Formula:
C30H48O4

M.W.:
472.71

4 activity values

1 unique targets

Type:
Unknown

AlogP:
5.86

Polar Surface Area:
58.92

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4750357

Name:
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-((S)-2,6-dihydroxy-6-methylheptan-2-ylShow More⌵

Mol. Formula:
C30H54O4

M.W.:
478.76

5 activity values

1 unique targets

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4746442

Name:
(S)-4-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentameShow More⌵

Mol. Formula:
C27H46O5

M.W.:
450.66

7 activity values

1 unique targets

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
97.99

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

Medicagol

Name:
3-Hydroxy-5,8,10,12-tetraoxa-benzo[a]cyclopenta[h]fluoren-6-one

Mol. Formula:
C16H8O6

M.W.:
296.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
82.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA330436

Name:
3,8-Dihydroxy-9-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one

Mol. Formula:
C16H10O6

M.W.:
298.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
93.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA97050

Name:
3,8,9-Trihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one

Mol. Formula:
C15H8O6

M.W.:
284.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
104.04

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA96969

Name:
2,9-Dihydroxy-3,8-dimethoxy-benzo[4,5]furo[3,2-c]chromen-6-one

Mol. Formula:
C17H12O7

M.W.:
328.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
102.27

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA8013

Name:
Phosphocreatine analogue

Mol. Formula:
C5H9N2Na2O5P

M.W.:
254.09

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
130.71

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA7649

Name:
Phosphocreatine analogue

Mol. Formula:
C4H8N3Na2O5P

M.W.:
255.08

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.38

Polar Surface Area:
133.95

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA266866

Name:
Phosphocreatine analogue

Mol. Formula:
C3H6N3Na2O5P

M.W.:
241.05

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.72

Polar Surface Area:
142.74

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA8265

Name:
Phosphocreatine analogue

Mol. Formula:
C4H7N2Na2O5P

M.W.:
240.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.18

Polar Surface Area:
130.71

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA8264

Name:
Phosphocreatine analogue

Mol. Formula:
C4H8N3Na2O5P

M.W.:
255.08

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.33

Polar Surface Area:
142.74

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA8056

Name:
Phosphocreatine analogue

Mol. Formula:
C5H9N2Na2O5P

M.W.:
254.09

Type:
Small molecule

AlogP:
-0.84

Polar Surface Area:
121.92

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS