Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4794027

Name:
2,2'-((4S,13S,16R,19S,25R,28S,33aR)-4-((S)-2-((R)-4-amino-2-((S)-2-decanamiShow More⌵

Mol. Formula:
C64H94N16O22

M.W.:
1439.55

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4793411

Name:
2,2'-((6S,9R,15S,18R,21S,26aR,33S,36aR)-33-((S)-2-((R)-4-amino-2-((S)-2-decShow More⌵

Mol. Formula:
C68H100N16O22

M.W.:
1493.64

10 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4788162

Name:
2,2'-((5S,8S,11R,14S,20R,23S,26R,30S)-30-((S)-2-((R)-4-amino-2-((S)-2-decanShow More⌵

Mol. Formula:
C70H98N18O25

M.W.:
1591.66

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4779425

Name:
2,2'-((5S,8S,11R,14S,20R,23S,26R,30S)-26-((1H-indol-3-yl)methyl)-30-((S)-2-Show More⌵

Mol. Formula:
C71H98N18O24

M.W.:
1587.67

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4778223

Name:
2,2'-((3S,6S,9R,12S,18R,21S,24R,28S,34aR)-28-((S)-2-((R)-4-amino-2-((S)-2-dShow More⌵

Mol. Formula:
C74H104N18O25

M.W.:
1645.75

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4744132

Name:
2,2'-((6S,9R,15S,18R,21S,24S,26aR,33S,36aR)-33-((S)-2-((R)-4-amino-2-((S)-2Show More⌵

Mol. Formula:
C69H101N17O24

M.W.:
1552.66

10 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3633583

Name:
oxo-corallopyronin A

Mol. Formula:
C30H39NO7

M.W.:
525.64

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
122.91

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3633582

Name:
(R)-MTPA-corallopyronin

Mol. Formula:
C40H51NO9

M.W.:
689.85

Type:
Small molecule

AlogP:
8.34

Polar Surface Area:
141.37

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3633581

Name:
(S)-MTPA-corallopyronin

Mol. Formula:
C40H51NO9

M.W.:
689.85

Type:
Small molecule

AlogP:
8.34

Polar Surface Area:
141.37

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3633580

Name:
thiophen-2-carboxyl corallopyronin A

Mol. Formula:
C35H43NO8S

M.W.:
637.80

Type:
Small molecule

AlogP:
8.15

Polar Surface Area:
132.14

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3633579

Name:
fluorobenzoyl-corallopyronin

Mol. Formula:
C37H44FNO8

M.W.:
649.76

Type:
Small molecule

AlogP:
8.23

Polar Surface Area:
132.14

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3633578

Name:
benzoyl-corallopyronin A

Mol. Formula:
C37H45NO8

M.W.:
631.77

Type:
Small molecule

AlogP:
8.09

Polar Surface Area:
132.14

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3633577

Name:
furoyl-corallopyronin A

Mol. Formula:
C35H43NO9

M.W.:
621.73

Type:
Small molecule

AlogP:
7.69

Polar Surface Area:
145.28

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3633576

Name:
acetoxyacetyl-corallopyronin

Mol. Formula:
C34H45NO10

M.W.:
627.73

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
158.44

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3633575

Name:
decanoyl-corallopyronin A

Mol. Formula:
C40H59NO8

M.W.:
681.91

Type:
Small molecule

AlogP:
9.92

Polar Surface Area:
132.14

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3633574

Name:
acetyl-corallopyronin A

Mol. Formula:
C32H43NO8

M.W.:
569.70