Compounds

ALA3085545

Name:
nodulisporic acid C2

Mol. Formula:
C43H58NNaO7

M.W.:
723.93

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.52

Polar Surface Area:
132.24

HBA:
6

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA452371

Name:
nodulisporic acid C2

Mol. Formula:
C43H59NO7

M.W.:
701.95

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.52

Polar Surface Area:
132.24

HBA:
6

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA449872

Name:
delta-23-Nodulisporic acid C4

Mol. Formula:
C43H57NO4

M.W.:
651.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.86

Polar Surface Area:
82.55

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA507924

Name:
delta-23-Nodulisporic acid A4

Mol. Formula:
C43H53NO5

M.W.:
663.90

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.14

Polar Surface Area:
88.76

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA501143

Name:
Nodulisporic Acid A4

Mol. Formula:
C43H55NO6

M.W.:
681.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.41

Polar Surface Area:
108.99

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA458267

Name:
Nodulisporic Acid F

Mol. Formula:
C28H37NO3

M.W.:
435.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.99

Polar Surface Area:
73.32

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA499440

Name:
Nodulisporic acid E methyl ester

Mol. Formula:
C38H53NO3

M.W.:
571.85

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.92

Polar Surface Area:
62.32

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA450791

Name:
Nodulisporic acid E

Mol. Formula:
C37H51NO3

M.W.:
557.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.83

Polar Surface Area:
73.32

HBA:
2

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA509735

Name:
Nodulisporic acid D3

Mol. Formula:
C38H47NO4

M.W.:
581.80

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.11

Polar Surface Area:
79.39

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA505385

Name:
Nodulisporic acid D2 methyl ester

Mol. Formula:
C39H53NO6

M.W.:
631.85

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
101.01

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA502444

Name:
Nodulisporic acid D2

Mol. Formula:
C38H51NO6

M.W.:
617.83

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.52

Polar Surface Area:
112.01

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA445248

Name:
Nodulisporic acid D1 methyl ester

Mol. Formula:
C39H51NO5

M.W.:
613.84

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.55

Polar Surface Area:
80.78

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA451879

Name:
Nodulisporic acid D1

Mol. Formula:
C38H49NO5

M.W.:
599.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.47

Polar Surface Area:
91.78

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA499792

Name:
Nodulisporic acid D methyl ester

Mol. Formula:
C39H51NO4

M.W.:
597.84

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.99

Polar Surface Area:
71.55

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA443627

Name:
Nodulisporic acid

Mol. Formula:
C38H49NO4

M.W.:
583.81

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.91

Polar Surface Area:
82.55

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA449823

Name:
nodulisporic acid C1

Mol. Formula:
C43H57NO6

M.W.:
683.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.47

Polar Surface Area:
112.01

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA473525

Name:
nodulisporic acid C

Mol. Formula:
C43H57NO5

M.W.:
667.93

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.91

Polar Surface Area:
102.78

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA506304

Name:
nodulisporic acid C1

Mol. Formula:
C43H56NNaO6

M.W.:
705.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
8.47

Polar Surface Area:
112.01

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA448174

Name:
nodulisporic acid C

Mol. Formula:
C43H56NNaO5

M.W.:
689.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
8.91

Polar Surface Area:
102.78

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA454246

Name:
Rediocide A

Mol. Formula:
C44H58O13

M.W.:
794.93

21 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
193.97

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS