Compounds

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4574825

Name:
(R)-N-((1-(3-fluoro-4-(trifluoromethoxy)phenethyl)pyrrolidin-3-yl)methyl)-3Show More⌵

Mol. Formula:
C21H25F4N3O3

M.W.:
443.44

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4561491

Name:
Methyl 2,6-dimethyl-5-((((R)-1-(4-methyl-3-(trifluoromethyl)phenethyl)pyrroShow More⌵

Mol. Formula:
C31H35F3N4O5

M.W.:
600.64

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4555422

Name:
Methyl 5-((((R)-1-(4-chloro-3-fluorophenethyl)pyrrolidin-3-yl)methyl)carbamShow More⌵

Mol. Formula:
C29H32ClFN4O5

M.W.:
571.05

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4535646

Name:
3,5-dichloro-N-((3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl)methylShow More⌵

Mol. Formula:
C19H26Cl2N2O

M.W.:
369.34

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4467412

Name:
(R)-3-Isopropyl-N-((1-(4-(trifluoromethyl)phenethyl)pyrrolidin-3-yl)methyl)Show More⌵

Mol. Formula:
C21H26F3N3O2

M.W.:
409.45

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4466934

Name:
Methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-((((R)-1-(4-(trifluoromethyl)phenetShow More⌵

Mol. Formula:
C30H33F3N4O5

M.W.:
586.61

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4465699

Name:
(S)-3-isopropyl-N-(pyrrolidin-3-ylmethyl)isoxazole-5-carboxamide

Mol. Formula:
C12H19N3O2

M.W.:
237.30

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4461512

Name:
(R)-3-Isopropyl-N-((1-(4-methyl-3-(trifluoromethyl)phenethyl)pyrrolidin-3-yShow More⌵

Mol. Formula:
C22H28F3N3O2

M.W.:
423.48

14 activity values

10 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4459597

Name:
(R)-N-((1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl)methyl)-3-isopropylisoxazolShow More⌵

Mol. Formula:
C18H29N3O3

M.W.:
335.45

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
75.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4459378

Name:
Methyl 5-((((R)-1-(3,4-dichlorophenethyl)pyrrolidin-3-yl)methyl)carbamoyl)-Show More⌵

Mol. Formula:
C29H32Cl2N4O5

M.W.:
587.50

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4454058

Name:
(R)-N-((1-(4-chloro-3-fluorophenethyl)pyrrolidin-3-yl)methyl)-3-isopropylisShow More⌵

Mol. Formula:
C20H25ClFN3O2

M.W.:
393.89

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4453177

Name:
Methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(((S)-pyrrolidin-3-ylmethyl)carbamoShow More⌵

Mol. Formula:
C21H26N4O5

M.W.:
414.46

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
122.60

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4451029

Name:
(R)-3-isopropyl-N-((1-(pyridin-3-ylmethyl)pyrrolidin-3-yl)methyl)isoxazole-Show More⌵

Mol. Formula:
C18H24N4O2

M.W.:
328.42

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
71.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4448317

Name:
(R)-N-((1-(3,3-dimethylbutyl)pyrrolidin-3-yl)methyl)-3-isopropylisoxazole-5Show More⌵

Mol. Formula:
C18H31N3O2

M.W.:
321.47

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4251381

Name:
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbutyl)-chroman-4-one

Mol. Formula:
C20H22O5

M.W.:
342.39

2 activity values

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4250437

Name:
6-allyl-2-(4-chlorophenyl)-5-hydroxychroman-4-one

Mol. Formula:
C18H15ClO3

M.W.:
314.77

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4249959

Name:
6-allyl-5,7-dihydroxy-2-(3-hydroxyphenyl)chroman-4-one

Mol. Formula:
C18H16O5

M.W.:
312.32

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4249607

Name:
2-(4-chlorophenyl)-5-hydroxy-6-(3-methylbut-2-enyl)chroman-4-one

Mol. Formula:
C20H19ClO3

M.W.:
342.82

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4249153

Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one

Mol. Formula:
C20H20O6

M.W.:
356.37