Compounds

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4217958

Name:
N-[2-(2,5-difluorophenoxy)ethyl]-5-methoxy-3,4-dihydro-2H-thiochromen-4-amiShow More⌵

Mol. Formula:
C18H20ClF2NO4S

M.W.:
419.88

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4217445

Name:
N-[2-(2,5-difluorophenoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine 1,1-dioShow More⌵

Mol. Formula:
C17H18ClF2NO3S

M.W.:
389.85

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4214419

Name:
N-[2-(2,5-difluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-thiochromen-4-amiShow More⌵

Mol. Formula:
C18H20ClF2NO4S

M.W.:
419.88

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4213907

Name:
N-[2-(2,5-difluorophenoxy)ethyl]-6-(methylsulfonyl)-3,4-dihydro-2H-thiochroShow More⌵

Mol. Formula:
C18H20ClF2NO5S2

M.W.:
467.94

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
89.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4213029

Name:
N-[2-(2,5-difluorophenoxy)ethyl]-6-methoxy-3,4-dihydro-2H-thiochromen-4-amiShow More⌵

Mol. Formula:
C18H20ClF2NO4S

M.W.:
419.88

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4210948

Name:
4-{[2-(2,5-Difluorophenoxy)ethyl]amino}-3,4-dihydro-2H-thiochromene-6-carboShow More⌵

Mol. Formula:
C18H19ClF2N2O4S

M.W.:
432.88

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
98.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4209507

Name:
N-[2-(2,5-difluorophenoxy)ethyl]-8-methoxy-3,4-dihydro-2H-thiochromen-4-amiShow More⌵

Mol. Formula:
C18H20ClF2NO4S

M.W.:
419.88

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4207824

Name:
(S)-N4-[2-(2,5-difluorophenoxy)ethyl]-N6-methyl-3,4-dihydro-2H-thiochromeneShow More⌵

Mol. Formula:
C18H21ClF2N2O3S

M.W.:
418.89

8 activity values

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
67.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4174168

Name:
(R)-2-(3-Aminopiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine

Mol. Formula:
C15H21N5O2

M.W.:
303.37

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
99.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4171710

Name:
((R)-N-(1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)furan-2-carbShow More⌵

Mol. Formula:
C20H23N5O4

M.W.:
397.44

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
115.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4171491

Name:
(R)-2-((1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)amino)naphthShow More⌵

Mol. Formula:
C25H25N5O4

M.W.:
459.51

9 activity values

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
119.67

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4170675

Name:
(R)-N-((S)-1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)-2,3-dihyShow More⌵

Mol. Formula:
C24H27N5O5

M.W.:
465.51

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
121.06

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4167693

Name:
(S)-N-((R)-1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)-2,3-dihyShow More⌵

Mol. Formula:
C24H27N5O5

M.W.:
465.51

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
121.06

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4163587

Name:
(S)-2-((1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)amino)naphthShow More⌵

Mol. Formula:
C25H25N5O4

M.W.:
459.51

22 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
119.67

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4161165

Name:
((S)-N-(1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)furan-2-carbShow More⌵

Mol. Formula:
C20H23N5O4

M.W.:
397.44

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
115.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4160032

Name:
(S)-N-((S)-1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)-2,3-dihyShow More⌵

Mol. Formula:
C24H27N5O5

M.W.:
465.51

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
121.06

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4159468

Name:
(R)-N-((R)-1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl)-2,3-dihyShow More⌵

Mol. Formula:
C24H27N5O5

M.W.:
465.51