Compounds

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
24.06

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2263366

Name:
(1-Phenyl-ethyl)-(9-selenoxo-8,9,10,11-tetrahydro-7H-7,11-diaza-9lambda*5*-Show More⌵

Mol. Formula:
C21H24N3PSe

M.W.:
428.38

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2263365

Name:
2-[(9-Selenoxo-8,9,10,11-tetrahydro-7H-7,11-diaza-9lambda*5*-phospha-cyclooShow More⌵

Mol. Formula:
C17H24N3OPSe

M.W.:
396.33

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2263364

Name:
9-(1-Methyl-2-phenyl-ethoxymethyl)-7,8,10,11-tetrahydro-7,11-diaza-9-phosphShow More⌵

Mol. Formula:
C22H25N2OPSe

M.W.:
443.39

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2263363

Name:
9-sec-Butoxymethyl-7,8,10,11-tetrahydro-7,11-diaza-9-phospha-cycloocta[de]nShow More⌵

Mol. Formula:
C17H23N2OPSe

M.W.:
381.32

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2263362

Name:
(1-Phenyl-ethyl)-(9-thioxo-8,9,10,11-tetrahydro-7H-7,11-diaza-9lambda*5*-phShow More⌵

Mol. Formula:
C21H24N3PS

M.W.:
381.49

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
36.09

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2263361

Name:
2-[(9-Thioxo-8,9,10,11-tetrahydro-7H-7,11-diaza-9lambda*5*-phospha-cyclooctShow More⌵

Mol. Formula:
C17H24N3OPS

M.W.:
349.44

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
56.32

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2263360

Name:
9-(1-Methyl-2-phenyl-ethoxymethyl)-7,8,10,11-tetrahydro-7,11-diaza-9-phosphShow More⌵

Mol. Formula:
C22H25N2OPS

M.W.:
396.50

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
33.29

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2263359

Name:
9-sec-Butoxymethyl-7,8,10,11-tetrahydro-7,11-diaza-9-phospha-cycloocta[de]nShow More⌵

Mol. Formula:
C17H23N2OPS

M.W.:
334.43

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
33.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2263358

Name:
9-bromomethyl-8,9,10,11-tetrahydro-7H-7,11-diaza-9lambda5-phospha-cyclooctaShow More⌵

Mol. Formula:
C13H14BrN2PSe

M.W.:
388.11

10 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1806691

Name:
2-(3'-Methyl-5'-(4''-chlorophenyl)pyrazol-1'-yl)-5-methyl-7-(4''-chlorophenShow More⌵

Mol. Formula:
C23H17Cl2N5

M.W.:
434.33

24 activity values

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
48.01

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1806690

Name:
2-(3'-Methyl-5'-(4''-methoxyphenyl)pyrazol-1'-yl)-5-methyl-7-(4''-methoxyphShow More⌵

Mol. Formula:
C25H23N5O2

M.W.:
425.49

24 activity values

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
66.47

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1806688

Name:
2-(3'-Methyl-5'-phenylpyrazol-1'-yl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimiShow More⌵

Mol. Formula:
C23H19N5

M.W.:
365.44

24 activity values

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
48.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1806687

Name:
2-(3',5'-dimethylpyrazol-1'-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

Mol. Formula:
C13H15N5

M.W.:
241.30

27 activity values

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
48.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA519662

Name:
hardwickiol

Mol. Formula:
C20H30O2

M.W.:
302.46

22 activity values

11 unique targets

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
33.37

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA483650

Name:
hardwickic acid methyl ester

Mol. Formula:
C21H30O3

M.W.:
330.47

22 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA517942

Name:
3-Hydroxy-2-[(1-phenyl-3-(4-methylphenyl)-4-pyrazolyl)]chromone

Mol. Formula:
C25H18N2O3

M.W.:
394.43

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
68.26

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA464678

Name:
3-Hydroxy-2-[(1-phenyl-3-(4-methoxyphenyl)-4-pyrazolyl)] chromone

Mol. Formula:
C25H18N2O4

M.W.:
410.43

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
77.49

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA465520

Name:
3-Hydroxy-2-[(1-phenyl-3-(4-chlorophenyl)-4-pyrazolyl)] chromone

Mol. Formula:
C24H15ClN2O3

M.W.:
414.85

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
68.26

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA465519

Name:
3-Hydroxy-2-[(1-phenyl-3-(4-bromophenyl)-4-pyrazolyl)] chromone

Mol. Formula:
C24H15BrN2O3

M.W.:
459.30