Compounds

Type:
---

AlogP:
2.23

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA5221107

Name:
rac-7-(Ethylsulfonyl)-1,3-dimethyl-5-(pyridin-4-yl)-1,3-dihydro-2H-benzo[d]Show More⌵

Mol. Formula:
C19H20N2O3S

M.W.:
356.45

Type:
---

AlogP:
2.84

Polar Surface Area:
67.34

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5221069

Name:
(R)-7-ethoxy-5-(1H-imidazol-4-yl)-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepiShow More⌵

Mol. Formula:
C17H19N3O2

M.W.:
297.36

Type:
---

AlogP:
2.77

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.95

DETAILS

ALA5220993

Name:
(R)-1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)-1,3-dihydro-2H-benzo[d]azepin-2-Show More⌵

Mol. Formula:
C17H22N2O

M.W.:
270.38

Type:
---

AlogP:
2.83

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA5220909

Name:
5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole-2-thiol

Mol. Formula:
C7H6N2OS2

M.W.:
198.27

Type:
---

AlogP:
2.40

Polar Surface Area:
38.92

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5220904

Name:
rac-7-(2-Hydroxy-2-methylpropoxy)-1,3-dimethyl-1H-benzo[d]azepin-2(3H)-one

Mol. Formula:
C16H21NO3

M.W.:
275.35

Type:
---

AlogP:
2.38

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.92

DETAILS

ALA5220753

Name:
(R)-1,3-Dimethyl-7-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]azepin-2(3Show More⌵

Mol. Formula:
C18H23NO2

M.W.:
285.39

Type:
---

AlogP:
3.20

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5220722

Name:
2-(5-amino-1,3,4-thiadiazol-2-ylthio)-N-(4-methoxybenzyl)acetamide

Mol. Formula:
C12H14N4O2S2

M.W.:
310.40

Type:
---

AlogP:
1.54

Polar Surface Area:
90.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5220623

Name:
(R)-7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one

Mol. Formula:
C14H17NO3

M.W.:
247.29

12 activity values

5 unique targets

Type:
---

AlogP:
2.25

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA5220571

Name:
3-aminoisoxazolo[4,5-c]quinolin-4(5H)-one

Mol. Formula:
C10H7N3O2

M.W.:
201.19

Type:
---

AlogP:
1.25

Polar Surface Area:
84.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

3-{[(3,5-Dimethylisoxazol-4-yl)methyl]thio}-5-methyl-4H-1,2,4-triazol-4-amine

Name:
3-((3,5-dimethylisoxazol-4-yl)methylthio)-5-methyl-4H-1,2,4-triazol-4-amine

Mol. Formula:
C9H13N5OS

M.W.:
239.30

Type:
---

AlogP:
1.20

Polar Surface Area:
82.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5220532

Name:
rac-7-(Ethylsulfonyl)-1,3-dimethyl-5-phenyl-1,3-dihydro-2H-benzo[d]azepin-2Show More⌵

Mol. Formula:
C20H21NO3S

M.W.:
355.46

Type:
---

AlogP:
3.44

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5220523

Name:
1,3-dimethyl-5-phenylpyridin-2(1H)-one

Mol. Formula:
C13H13NO

M.W.:
199.25

Type:
---

AlogP:
2.36

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5220501

Name:
(R)-7-((1,3-dihydroxypropan-2-yl)oxy)-1,3-dimethyl-1,3-dihydro-2H-benzo[d]aShow More⌵

Mol. Formula:
C15H19NO4

M.W.:
277.32