Compounds

ALA5267707

Name:
17-bromo-4,26-epoxyoscillatoxin B2

Mol. Formula:
C32H43BrO10

M.W.:
667.59

Type:
---

AlogP:
5.09

Polar Surface Area:
133.28

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5267470

Name:
N-(2-(chloromethylene)-4-methoxy-6-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1Show More⌵

Mol. Formula:
C29H45ClN2O6

M.W.:
553.14

Type:
---

AlogP:
5.23

Polar Surface Area:
96.38

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5267444

Name:
Eudistomidin B

Mol. Formula:
C21H26BrN3

M.W.:
400.36

Type:
---

AlogP:
3.91

Polar Surface Area:
41.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5267090

Name:
diethyl (2-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-Show More⌵

Mol. Formula:
C21H22BrN4O5P

M.W.:
521.31

Type:
---

AlogP:
4.26

Polar Surface Area:
103.62

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5267070

Name:
2-oxo-3(R)-hydroxy-13-N-desmethyl-lyngbyatoxin A

Mol. Formula:
C26H37N3O4

M.W.:
455.60

Type:
---

AlogP:
3.33

Polar Surface Area:
110.69

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5266924

Name:
Agelasine G

Mol. Formula:
C30H41BrN6O2

M.W.:
597.60

Type:
---

AlogP:
6.34

Polar Surface Area:
100.37

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5266472

Name:

Mol. Formula:
C27H26FN7O4

M.W.:
531.55

Type:
---

AlogP:
2.96

Polar Surface Area:
124.15

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5265844

Name:
diethyl (2-(2-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-1H-1,Show More⌵

Mol. Formula:
C23H27N4O6P

M.W.:
486.47

Type:
---

AlogP:
3.51

Polar Surface Area:
112.85

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5281013

Name:
Oscillatoxin I

Mol. Formula:
C32H43BrO8

M.W.:
635.59

Type:
---

AlogP:
5.99

Polar Surface Area:
119.36

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5280262

Name:
diethyl (2-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-1H-1,2,3Show More⌵

Mol. Formula:
C21H23N4O6P

M.W.:
458.41

Type:
---

AlogP:
2.98

Polar Surface Area:
123.85

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5280180

Name:
diethyl (2-((4-((5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)Show More⌵

Mol. Formula:
C22H24N5O8P

M.W.:
517.44

Type:
---

AlogP:
3.38

Polar Surface Area:
155.99

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5278753

Name:
30-methy-loscillatoxin D

Mol. Formula:
C32H44O8

M.W.:
556.70

Type:
---

AlogP:
5.32

Polar Surface Area:
108.36

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5278708

Name:
12-chloro-11-Hydroxydibromoisophakellin

Mol. Formula:
C11H12Br2ClN5O2

M.W.:
441.51

Type:
---

AlogP:
0.15

Polar Surface Area:
106.41

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5278469

Name:

Mol. Formula:
C26H24FN7O3S

M.W.:
533.59

Type:
---

AlogP:
2.91

Polar Surface Area:
120.80

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5278290

Name:
diethyl (2-hydroxy-3-(4-((5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yShow More⌵

Mol. Formula:
C22H24N5O8P

M.W.:
517.44

Type:
---

AlogP:
2.76

Polar Surface Area:
166.99

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5277440

Name:
17-bromo-4-hydroper-oxyoscillatoxin B2

Mol. Formula:
C32H45BrO11

M.W.:
685.61

Type:
---

AlogP:
5.57

Polar Surface Area:
150.21

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5277131

Name:
Manzamine H

Mol. Formula:
C36H50N4O

M.W.:
554.82

Type:
---

AlogP:
6.33

Polar Surface Area:
63.32

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5276316

Name:
3,5-di(benzylidene)-1-(4-(3-(4-hydroxyphenyl)-3-oxoprop-1-en-1-yl)benzoyl)pShow More⌵

Mol. Formula:
C35H27NO4

M.W.:
525.60

Type:
---

AlogP:
6.48

Polar Surface Area:
74.68

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5276151

Name:
diethyl (3-(4-((5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-Show More⌵

Mol. Formula:
C22H24N5O7P

M.W.:
501.44

Type:
---

AlogP:
3.79

Polar Surface Area:
146.76

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5275043

Name:
3-(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-cyclopropyl-7-(4-ethylpiperaShow More⌵

Mol. Formula:
C20H24FN7OS

M.W.:
429.53

Type:
---

AlogP:
1.88

Polar Surface Area:
85.21

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS