Compounds

Type:
Unknown

AlogP:
6.44

Polar Surface Area:
60.77

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4647686

Name:
N-(3,5-Bis(trifluoromethyl)benzyl)-N,1-dimethyl-2-oxo-4-propoxy-1,2-dihydroShow More⌵

Mol. Formula:
C24H22F6N2O3

M.W.:
500.44

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4646540

Name:
tert-Butyl 4-(3-((3-((3,5-dimethoxybenzyl)(methyl)carbamoyl)-1-methyl-2-oxoShow More⌵

Mol. Formula:
C33H44N4O7

M.W.:
608.74

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
112.43

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4646354

Name:
tert-Butyl 4-(3-((3-((3,5-bis(trifluoromethyl)benzyl)(methyl)carbamoyl)-1-mShow More⌵

Mol. Formula:
C34H39F6N3O5

M.W.:
683.69

Type:
Unknown

AlogP:
7.65

Polar Surface Area:
81.08

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4645607

Name:
1-Methylcyclopropyl 4-(3-((3-((3-methoxy-5-(trifluoromethyl)benzyl)(methyl)Show More⌵

Mol. Formula:
C33H39F3N4O6

M.W.:
644.69

19 activity values

6 unique targets

Type:
Unknown

AlogP:
5.79

Polar Surface Area:
103.20

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4644982

Name:
4-(3-(Benzyloxy)pyrrolidin-1-yl)-N-(3,5-bis(trifluoromethyl)benzyl)-N,1-dimShow More⌵

Mol. Formula:
C32H29F6N3O3

M.W.:
617.59

Type:
Unknown

AlogP:
6.64

Polar Surface Area:
54.78

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4644293

Name:
1-Methylcyclopropyl 4-(3-((3-((3,5-dimethoxybenzyl)(methyl)carbamoyl)-1-metShow More⌵

Mol. Formula:
C33H42N4O7

M.W.:
606.72

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
112.43

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4641888

Name:
1-Methylcyclopropyl 4-(3-((3-((3,5-bis(trifluoromethyl)benzyl)(methyl)carbaShow More⌵

Mol. Formula:
C33H36F6N4O5

M.W.:
682.66

Type:
Unknown

AlogP:
6.80

Polar Surface Area:
93.97

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4639746

Name:
tert-Butyl 4-(3-((3-((3,5-diethoxybenzyl)(methyl)carbamoyl)-1-methyl-2-oxo-Show More⌵

Mol. Formula:
C36H49N3O7

M.W.:
635.80

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
99.54

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4638337

Name:
tert-Butyl 4-(3-((3-((3,5-dimethoxybenzyl)(methyl)carbamoyl)-1-methyl-2-oxoShow More⌵

Mol. Formula:
C34H45N3O7

M.W.:
607.75

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
99.54

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4638097

Name:
N-(3,5-Bis(trifluoromethyl)benzyl)-4-(3-cyclohexylpropoxy)-N,1-dimethyl-2-oShow More⌵

Mol. Formula:
C30H32F6N2O3

M.W.:
582.58

Type:
Unknown

AlogP:
7.59

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4637599

Name:
N-(3,5-Bis(trifluoromethyl)benzyl)-N,1-dimethyl-4-(3-methylbutoxy)-2-oxo-1,Show More⌵

Mol. Formula:
C26H26F6N2O3

M.W.:
528.49

Type:
Unknown

AlogP:
6.27

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4635147

Name:
tert-Butyl 4-(3-((3-((3,5-dimethoxybenzyl)(methyl)carbamoyl)-1-methyl-2-oxoShow More⌵

Mol. Formula:
C33H44N4O7

M.W.:
608.74

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
112.43

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4634697

Name:
N-(3,5-Bis(trifluoromethyl)benzyl)-N,1-dimethyl-2-oxo-4-(3-phenylpropoxy)-1Show More⌵

Mol. Formula:
C30H26F6N2O3

M.W.:
576.54

Type:
Unknown

AlogP:
6.86

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4634669

Name:
N-(3,5-Bis(trifluoromethyl)benzyl)-N,1-dimethyl-2-oxo-4-(4,4,4-trifluorobutShow More⌵

Mol. Formula:
C25H21F9N2O3

M.W.:
568.44

Type:
Unknown

AlogP:
6.57

Polar Surface Area:
51.54

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4633986

Name:
N-(3,5-Bis(trifluoromethyl)benzyl)-N,1-dimethyl-2-oxo-4-(piperidin-1-yl)-1,Show More⌵

Mol. Formula:
C26H25F6N3O2

M.W.:
525.49

Type:
Unknown

AlogP:
5.84

Polar Surface Area:
45.55

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4583600

Name:
2-(2-chlorobenzyloxy)-N-(pyridin-3-yl)benzamide

Mol. Formula:
C19H15ClN2O2

M.W.:
338.79

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4582169

Name:
2-(benzyloxy)-N-(furan-2-ylmethyl)benzamide

Mol. Formula:
C19H17NO3

M.W.:
307.35

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
51.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4575474

Name:
2-(2-cyanobenzyloxy)-N-(pyridin-3-yl)benzamide

Mol. Formula:
C20H15N3O2

M.W.:
329.36

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
75.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4572895

Name:
2-(2-fluorobenzyloxy)-N-(pyridin-3-yl)benzamide

Mol. Formula:
C19H15FN2O2

M.W.:
322.34