Compounds

Type:
---

AlogP:
7.58

Polar Surface Area:
179.58

HBA:
8

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5193670

Name:
(2R,4aR,5S,8aR)-5-(2-(4-carboxyphenyl)prop-1-en-1-yl)-7-methyl-2-(2-((4-pheShow More⌵

Mol. Formula:
C37H36O7

M.W.:
592.69

Type:
---

AlogP:
8.06

Polar Surface Area:
110.13

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5182721

Name:
1,1',6',7'-tetrahydroxy-3,6,7-trimethyl-N5,N5'-bis(2-phenylpropyl)-[2,2'-biShow More⌵

Mol. Formula:
C43H42N2O6

M.W.:
682.82

Type:
---

AlogP:
8.47

Polar Surface Area:
139.12

HBA:
6

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5181238

Name:
Sanguinarine

Mol. Formula:
C20H14NO4+

M.W.:
332.34

Type:
---

AlogP:
3.43

Polar Surface Area:
40.80

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5171545

Name:
3-((2'-benzyl-4''-(carboxymethoxy)-2'',3-diisobutyl-[1,1':4',1''-terphenyl]Show More⌵

Mol. Formula:
C38H48N2O6

M.W.:
628.81

Type:
---

AlogP:
8.33

Polar Surface Area:
93.06

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4590718

Name:
(Z)-3-(tridec-8-en-1-yl)phenol

Mol. Formula:
C19H30O

M.W.:
274.45

Type:
Unknown

AlogP:
6.02

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4177383

Name:
(+/-)-Isofislatifolione

Mol. Formula:
C20H26O

M.W.:
282.43

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4176411

Name:
Didymocarpin-A

Mol. Formula:
C17H16O6

M.W.:
316.31

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4174120

Name:
Meiogynine A

Mol. Formula:
C30H44O4

M.W.:
468.68

Type:
Small molecule

AlogP:
7.44

Polar Surface Area:
74.60

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4173027

Name:
(+/-)-Fislatifolione

Mol. Formula:
C20H26O

M.W.:
282.43

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4169631

Name:
(+/-)-Fislatifolic acid

Mol. Formula:
C19H24O2

M.W.:
284.40

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4167474

Name:
(-)-Ecarlottone

Mol. Formula:
C26H28O6

M.W.:
436.50

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4165980

Name:
(+/-)-Ecarlottone

Mol. Formula:
C26H28O6

M.W.:
436.50

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4162352

Name:
Dehydrodidymocarpin-A

Mol. Formula:
C17H14O6

M.W.:
314.29

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
78.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4159563

Name:
(+)-Ecarlottone

Mol. Formula:
C26H28O6

M.W.:
436.50

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3339156

Name:
(2R,4aR,5S,8aR)-5-(2-(4-carboxyphenyl)prop-1-enyl)-7-methyl-2-((R)-6-methylShow More⌵

Mol. Formula:
C30H38O4

M.W.:
462.63

16 activity values