Compounds

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4580089

Name:
2-Methoxy-5-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annuleneShow More⌵

Mol. Formula:
C21H26O6

M.W.:
374.43

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4572727

Name:
2-(1-((2-(3,4-Dimethoxyphenoxy)phenyl)amino)ethylidene)-5-phenylcyclohexaneShow More⌵

Mol. Formula:
C28H27NO5

M.W.:
457.53

Type:
Unknown

AlogP:
5.90

Polar Surface Area:
73.86

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4571005

Name:
1,5-Dihydroxy-2-methoxy-5-(3,4,5-trimethoxyphenyl)-5,7,8,9-tetrahydro-6H-beShow More⌵

Mol. Formula:
C21H24O7

M.W.:
388.42

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
94.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4570141

Name:
3-Methoxy-9-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[7]annulene-4-carbShow More⌵

Mol. Formula:
C22H23NO4

M.W.:
365.43

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
60.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4563329

Name:
3-Methoxy-9-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[7]annulene-4-carbShow More⌵

Mol. Formula:
C22H24O5

M.W.:
368.43

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4562815

Name:
ethyl 2-(7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-benzo[e]indazoShow More⌵

Mol. Formula:
C25H28N2O6

M.W.:
452.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
81.04

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4559526

Name:
2-Methoxy-5-(3,4,5-trimethoxyphenyl)-7,8-dihydronaphthalene-1-carbonitrile

Mol. Formula:
C21H21NO4

M.W.:
351.40

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
60.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4557472

Name:
Sodium 3-Methoxy-9-(3,4,5-trimethoxyphenyl)-5H-benzo[7]annulen-4-ylphosphatShow More⌵

Mol. Formula:
C21H21Na2O8P

M.W.:
478.35

14 activity values

7 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
103.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4547567

Name:
2-((3-Methoxy-9-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[7]annulen-4-yShow More⌵

Mol. Formula:
C23H28O6

M.W.:
400.47

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
66.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4542794

Name:
3-Methoxy-4-(2-(2-methoxyethoxy)ethoxy)-9-(3,4,5-trimethoxyphenyl)-6,7-dihyShow More⌵

Mol. Formula:
C26H34O7

M.W.:
458.55

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
64.61

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4536467

Name:
1,2-Dimethoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5H-benzo[7]annulen-5-oShow More⌵

Mol. Formula:
C22H26O6

M.W.:
386.44

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
66.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4532384

Name:
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-benzo[e]indazole

Mol. Formula:
C21H22N2O4

M.W.:
366.42

620 activity values

58 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
65.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4532022

Name:
(R)-(+)-ethyl 5-amino 2-methyl-1,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yShow More⌵

Mol. Formula:
C17H19N5O2

M.W.:
325.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
101.63

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4530425

Name:
N-(3-chloro-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxShow More⌵

Mol. Formula:
C25H21Cl2FN4O5

M.W.:
547.37

8 activity values

Type:
Unknown

AlogP:
5.67

Polar Surface Area:
96.73

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4518432

Name:
2-(1-((2-(4-(1-Hydroxyethyl)phenoxy)phenyl)amino)ethylidene)-5-phenylcyclohShow More⌵

Mol. Formula:
C28H27NO4

M.W.:
441.53

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
75.63

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4474504

Name:
8-Bromo-3-methoxy-9-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[7]annulenShow More⌵

Mol. Formula:
C21H23BrO5

M.W.:
435.31

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4471495

Name:
2-(1-((2-(4-Methoxyphenoxy)phenyl)amino)ethylidene)-5-phenylcyclohexane-1,3Show More⌵

Mol. Formula:
C27H25NO4

M.W.:
427.50