Compounds

ALA2287503

Name:
8-(3-ethyl-5-methoxybiphenyl-4-yl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazeShow More⌵

Mol. Formula:
C22H24N2O4

M.W.:
380.44

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2287502

Name:
8-(2-ethynyl-6-methoxy-4-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadShow More⌵

Mol. Formula:
C17H18N2O4

M.W.:
314.34

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2285692

Name:
8-(2-bromo-6-methoxy-4-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiaShow More⌵

Mol. Formula:
C15H17BrN2O4

M.W.:
369.21

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2287501

Name:
8-(2-ethyl-6-methoxy-4-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiaShow More⌵

Mol. Formula:
C17H22N2O4

M.W.:
318.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287500

Name:
8-(2,6-diethynyl-4-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepiShow More⌵

Mol. Formula:
C18H16N2O3

M.W.:
308.34

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2287499

Name:
8-(2-ethyl-6-ethynyl-4-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiaShow More⌵

Mol. Formula:
C18H20N2O3

M.W.:
312.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2287498

Name:
8-(4-methyl-2,6-dipropylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepinShow More⌵

Mol. Formula:
C20H28N2O3

M.W.:
344.46

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2287497

Name:
8-(3,5-diethylbiphenyl-4-yl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7Show More⌵

Mol. Formula:
C23H26N2O3

M.W.:
378.47

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2287496

Name:
8-(2,6-diethyl-4-iodophenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7Show More⌵

Mol. Formula:
C17H21IN2O3

M.W.:
428.27

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2287495

Name:
8-(2,4,6-triethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(2Show More⌵

Mol. Formula:
C19H26N2O3

M.W.:
330.43

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287494

Name:
8-(2,6-diethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(2H,8Show More⌵

Mol. Formula:
C17H22N2O3

M.W.:
302.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2287493

Name:
8-(2-ethyl-4-ethynyl-6-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiaShow More⌵

Mol. Formula:
C18H20N2O3

M.W.:
312.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2287492

Name:
8-(2,4-diethyl-6-methylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepineShow More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2287491

Name:
8-(2,4-dimethyl-6-(prop-1-ynyl)phenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadShow More⌵

Mol. Formula:
C18H20N2O3

M.W.:
312.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.37

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2287490

Name:
8-(2-ethynyl-4,6-dimethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepiShow More⌵

Mol. Formula:
C17H18N2O3

M.W.:
298.34

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.98

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA2287489

Name:
8-(2-cyclopropyl-4,6-dimethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiaShow More⌵

Mol. Formula:
C18H22N2O3

M.W.:
314.39

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2287488

Name:
8-(2-isopropyl-4,6-dimethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazeShow More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287487

Name:
8-(2,4-dimethyl-6-propylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepinShow More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2287486

Name:
8-(2-ethyl-4,6-dimethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepineShow More⌵

Mol. Formula:
C17H22N2O3

M.W.:
302.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2287485

Name:
8-(2-bromo-4,6-dimethylphenyl)dihydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepineShow More⌵

Mol. Formula:
C15H17BrN2O3

M.W.:
353.22

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
49.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS