Compounds

ALA5267386

Name:
Jamaicamide B

Mol. Formula:
C27H37ClN2O4

M.W.:
489.06

Type:
---

AlogP:
5.02

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5282325

Name:
Malyngamide K

Mol. Formula:
C25H40ClNO3

M.W.:
438.05

Type:
---

AlogP:
6.40

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5278674

Name:
Apratoxin A

Mol. Formula:
C45H69N5O8S

M.W.:
840.14

Type:
---

AlogP:
5.28

Polar Surface Area:
158.15

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5278360

Name:
Jamaicamide C

Mol. Formula:
C27H39ClN2O4

M.W.:
491.07

Type:
---

AlogP:
5.57

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5275834

Name:
8-O-acetyl-8-epi-malyngamide C

Mol. Formula:
C27H42ClNO6

M.W.:
512.09

Type:
---

AlogP:
5.15

Polar Surface Area:
94.23

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5273180

Name:
Bouillonamide

Mol. Formula:
C46H67N5O8

M.W.:
818.07

Type:
---

AlogP:
4.61

Polar Surface Area:
156.87

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5289416

Name:
6-0-acetylmalyngamide F

Mol. Formula:
C27H42ClNO5

M.W.:
496.09

Type:
---

AlogP:
5.94

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5285477

Name:
8-epi-malyngamide C

Mol. Formula:
C25H40ClNO5

M.W.:
470.05

Type:
---

AlogP:
4.58

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5285116

Name:
2-(2-(4-sec-butoxy-2-(4-(carboxymethoxy)-2-(methoxycarbonyl)quinolin-8-ylcaShow More⌵

Mol. Formula:
C53H46N8O15

M.W.:
1034.99

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270616

Name:
Jamaicamide A

Mol. Formula:
C27H36BrClN2O4

M.W.:
567.95

Type:
---

AlogP:
5.74

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5269697

Name:
Malyngamide J

Mol. Formula:
C34H55NO9

M.W.:
621.81

Type:
---

AlogP:
4.34

Polar Surface Area:
125.08

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5282893

Name:
5-(5-(6-(benzyloxy)-5-(6-isobutoxy-5-nitropicolinamido)picolinamido)-6-(carShow More⌵

Mol. Formula:
C39H34N8O15

M.W.:
854.74

Type:
---

AlogP:
4.17

Polar Surface Area:
330.82

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5198911

Name:
N-(2-(5-(((1s,4s)-4-(2-chlorophenoxy)cyclohexyl)oxy)-3'-fluoro-[1,1'-biphenShow More⌵

Mol. Formula:
C28H29ClFNO3

M.W.:
482.00

Type:
---

AlogP:
6.59

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5198661

Name:
N-(2-(5-(((1s,3r)-3-(Benzyloxy)cyclohexyl)oxy)-3'-fluoro-[1,1'-biphenyl]-2-Show More⌵

Mol. Formula:
C29H32FNO3

M.W.:
461.58

2 activity values

2 unique targets

Type:
---

AlogP:
6.08

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5197447

Name:
beta-D-Galactopyranosyl-(1->3)-(2-acetamido-2-deoxy-beta-D-galactopyranosylShow More⌵

Mol. Formula:
C73H129N3O31

M.W.:
1544.83

5 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5197261

Name:
N-(2-(5-(((1r,3r)-3-(Benzylthio)cyclohexyl)oxy)-3'-fluoro-[1,1'-biphenyl]-2Show More⌵

Mol. Formula:
C29H32FNO2S

M.W.:
477.65

2 activity values

2 unique targets

Type:
---

AlogP:
6.79

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5196702

Name:
N-(2-(5-(((1s,4s)-4-(2,4-Dichlorophenoxy)cyclohexyl)oxy)-3'-fluoro-[1,1'-biShow More⌵

Mol. Formula:
C28H28Cl2FNO3

M.W.:
516.44

Type:
---

AlogP:
7.25

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5196668

Name:
N-(2-(5-(((1r,3r)-3-(Benzyloxy)cyclohexyl)oxy)-3'-fluoro-[1,1'-biphenyl]-2-Show More⌵

Mol. Formula:
C29H32FNO3

M.W.:
461.58

2 activity values

2 unique targets

Type:
---

AlogP:
6.08

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5196458

Name:
beta-D-Galactopyranosyl-(1->3)-(2-acetamido-2-deoxy-beta-D-galactopyranosylShow More⌵

Mol. Formula:
C75H133N3O31

M.W.:
1572.88

59 activity values

4 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5205766

Name:
N-(2-(5-(((1s,4s)-4-Benzylcyclohexyl)oxy)-3'-fluoro-[1,1'-biphenyl]-2-yl)etShow More⌵

Mol. Formula:
C29H32FNO2

M.W.:
445.58

Type:
---

AlogP:
6.35

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS