Compounds

ALA5266115

Name:
Crotokilwaepoxide C

Mol. Formula:
C20H22O7

M.W.:
374.39

Type:
---

AlogP:
0.73

Polar Surface Area:
93.49

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5282463

Name:
Crotokilwaepoxide A

Mol. Formula:
C20H22O6

M.W.:
358.39

Type:
---

AlogP:
1.31

Polar Surface Area:
80.96

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5280615

Name:
ent-3beta,19-dihydroxykaur-16-ene

Mol. Formula:
C20H32O2

M.W.:
304.47

Type:
---

AlogP:
3.92

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5277335

Name:
Cytosporin L

Mol. Formula:
C19H32O6

M.W.:
356.46

Type:
---

AlogP:
0.81

Polar Surface Area:
110.38

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5274686

Name:
9-Methoxycrotokilwaepoxide A

Mol. Formula:
C21H24O7

M.W.:
388.42

Type:
---

AlogP:
1.29

Polar Surface Area:
90.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5291114

Name:
N-(4-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Mol. Formula:
C12H7FN4O3

M.W.:
274.21

Type:
---

AlogP:
3.01

Polar Surface Area:
94.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5286523

Name:
Crotokilwaepoxide B

Mol. Formula:
C20H20O6

M.W.:
356.37

Type:
---

AlogP:
1.44

Polar Surface Area:
80.96

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5286194

Name:
3alpha-hydroxy-7-ene-6,20-dione

Mol. Formula:
C22H32O3

M.W.:
344.50

Type:
---

AlogP:
4.08

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5283148

Name:
9-Hydroxycrotokilwaepoxide A

Mol. Formula:
C20H22O7

M.W.:
374.39

Type:
---

AlogP:
0.63

Polar Surface Area:
101.19

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4879013

Name:
(3R,3aR,11aS)-8,9-Dibromo-2,3,3a,11a-tetrahydro-5H-benzo[4,5]imidazo[1,2]fuShow More⌵

Mol. Formula:
C13H12Br2N2O5S

M.W.:
468.12

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
79.65

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4878355

Name:
(3R,3aR,11aS)-8-Methoxy-7-nitro-2,3,3a,11a-tetrahydro-5H-benzo[4,5]imidazo[Show More⌵

Mol. Formula:
C13H13N3O6

M.W.:
307.26

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.74

Polar Surface Area:
108.88

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4878075

Name:
(3S,3aR,11aS)-3-Azido-8,10-dibromo-9-methyl-2,3,3a,11a-tetrahydro-5H-benzo[Show More⌵

Mol. Formula:
C13H11Br2N5O2

M.W.:
429.07

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
85.04

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4876339

Name:
5-Chloro-N-(2-chloro-4-(pyrrolidin-1-yl)phenyl)-2-hydroxybenzamide

Mol. Formula:
C17H16Cl2N2O2

M.W.:
351.23

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4875112

Name:
(3R,3aR,11aS)-8,10-Dibromo-9-methyl-2,3,3a,11a-tetrahydro-5H-benzo[4,5]imidShow More⌵

Mol. Formula:
C13H12Br2N2O3

M.W.:
404.06

57 activity values

5 unique targets

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
56.51

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4872242

Name:
5-Chloro-N-(2-chloro-4-morpholinophenyl)-2-hydroxybenzamide

Mol. Formula:
C17H16Cl2N2O3

M.W.:
367.23

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
61.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4869884

Name:
5-Chloro-N-(2-chloro-4-((furan-2-ylmethyl)amino)phenyl)-2-hydroxybenzamide

Mol. Formula:
C18H14Cl2N2O3

M.W.:
377.23

21 activity values

4 unique targets

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
74.50

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4869143

Name:
(3R,3aR,11aS)-8,9-Dimethyl-2,3,3a,11a-tetrahydro-5H-benzo[4,5]imidazo[1,2]fShow More⌵

Mol. Formula:
C14H16N2O3

M.W.:
260.29

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
56.51

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4868844

Name:
(3R,3aR,11aS)-8,9-Dibromo-2,3,3a,11a-tetrahydro-5H-benzo[4,5]imidazo[1,2-d]Show More⌵

Mol. Formula:
C12H10Br2N2O3

M.W.:
390.03

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
56.51

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4868260

Name:
(3R,3aR,11aS)-8-Methoxy-2,3,3a,11a-tetrahydro-5H-benzo[4,5]imidazo[1,2-d]fuShow More⌵

Mol. Formula:
C13H14N2O4

M.W.:
262.26

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.83

Polar Surface Area:
65.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4867631

Name:
3S-[(1R)-1,2-Dihydroxyethan-1-yl]-7,8-dimethyl-3,4-dihydro-1H-benzo[4,5]imiShow More⌵

Mol. Formula:
C14H18N2O3

M.W.:
262.31

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
67.51

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS