Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5206023

Name:
(S)-4-amino-2-((3R,6S,9S,12S,15R,E)-15-((3S,6S,9S,12S)-1-((3S,6S,9R,18R,21SShow More⌵

Mol. Formula:
C84H138N24O29S4

M.W.:
2076.44

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5202369

Name:
(S)-2-((3R,6S,9S,12S,15R,E)-9-((1H-imidazol-5-yl)methyl)-15-((3S,6S,9S,12S)Show More⌵

Mol. Formula:
C90H147N27O29S4

M.W.:
2199.59

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199320

Name:
(S)-1-((3R,6S,9S,12R)-12-((3S,6S,9S,12S,15S,18S)-1-((3R,6S,9S,15S,18R)-6-((Show More⌵

Mol. Formula:
C97H142N28O26S4

M.W.:
2244.64

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192767

Name:
(S)-1-((3S,6S,9S,12R)-12-((3S,6S,9S,12S,15S,18S)-3,6-bis(3-amino-3-oxopropyShow More⌵

Mol. Formula:
C86H136N26O29S5

M.W.:
2158.52

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5191603

Name:

Mol. Formula:
C95H157N31O22S4

M.W.:
2213.76

15 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5185899

Name:

Mol. Formula:
C86H135N33O24S4

M.W.:
2143.50

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5183647

Name:
2-(phenylsulfonamido)-3-(2-((piperidin-4-ylmethoxy)methyl)-2,3-dihydrobenzoShow More⌵

Mol. Formula:
C24H30N2O7S

M.W.:
490.58

Type:
---

AlogP:
1.82

Polar Surface Area:
123.19

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5174448

Name:
(S)-2-((3R,6S,9S,12S,15R,E)-15-((3S,6S,9S,12S)-1-((3S,6S,9S,12S,15R,24R,29aShow More⌵

Mol. Formula:
C90H143N25O29S4

M.W.:
2167.55

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4874624

Name:
Oregonin

Mol. Formula:
C24H30O10

M.W.:
478.49

1 activity values

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
177.14

HBA:
10

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4870289

Name:
Giffonin W

Mol. Formula:
C19H20O7

M.W.:
360.36

Type:
Unknown

AlogP:
-0.12

Polar Surface Area:
138.45

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4869793

Name:
Giffonin K

Mol. Formula:
C21H22O6

M.W.:
370.40

8 activity values

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
88.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4868561

Name:
Giffonin X

Mol. Formula:
C19H20O5

M.W.:
328.36

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4867521

Name:
Giffonin N

Mol. Formula:
C25H30O10

M.W.:
490.51

Type:
Unknown

AlogP:
-0.24

Polar Surface Area:
177.14

HBA:
10

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4864244

Name:
Carpinotriol B

Mol. Formula:
C19H20O6

M.W.:
344.36

6 activity values

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
118.22

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4864040

Name:
Alnusone

Mol. Formula:
C19H18O3

M.W.:
294.35

4 activity values

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4849304

Name:
Giffonin J

Mol. Formula:
C21H24O6

M.W.:
372.42

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
88.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4800478

Name:
(1S,2R,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-3H-[1Show More⌵

Mol. Formula:
C18H18F2N6O3

M.W.:
404.38

Type:
Unknown

AlogP:
0.49

Polar Surface Area:
129.21

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4799020

Name:
(1S,2R,3S,4R)-4-(7-amino-5-((2-hydroxypropyl)thio)-3H-[1,2,3]triazolo[4,5-dShow More⌵

Mol. Formula:
C12H18N6O4S

M.W.:
342.38