Compounds

ALA5267218

Name:
5-cyclopentyl-7-((1-(methylsulfonyl)piperidin-4-yl)amino)-[1,2,4]triazolo[4Show More⌵

Mol. Formula:
C18H24N8O3S

M.W.:
432.51

Type:
---

AlogP:
0.79

Polar Surface Area:
127.38

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5266588

Name:
8-cyclopentyl-6-methoxy-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pteridinShow More⌵

Mol. Formula:
C18H26N6O4S

M.W.:
422.51

Type:
---

AlogP:
1.15

Polar Surface Area:
119.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5266561

Name:
4-((8-cyclopentyl-6-hydroxy-7-oxo-7,8-dihydropteridin-2-yl)amino)-N,N-dimetShow More⌵

Mol. Formula:
C18H27N7O4S

M.W.:
437.53

Type:
---

AlogP:
0.69

Polar Surface Area:
133.55

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5266315

Name:
8-cyclopentyl-2-((1-(cyclopropylsulfonyl)piperidin-4-yl)amino)-6-hydroxypteShow More⌵

Mol. Formula:
C19H26N6O4S

M.W.:
434.52

Type:
---

AlogP:
1.38

Polar Surface Area:
130.31

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5266292

Name:
8-cyclopentyl-2-((1-(cyclopropylsulfonyl)piperidin-4-yl)amino)-6-(methylamiShow More⌵

Mol. Formula:
C20H29N7O3S

M.W.:
447.57

Type:
---

AlogP:
1.71

Polar Surface Area:
122.11

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5265772

Name:
8-(sec-butyl)-6-hydroxy-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pteridinShow More⌵

Mol. Formula:
C16H24N6O4S

M.W.:
396.47

Type:
---

AlogP:
0.70

Polar Surface Area:
130.31

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5282292

Name:
8-cyclopentyl-2-(ethylamino)-6-((1-(methylsulfonyl)piperidin-4-yl)amino)pteShow More⌵

Mol. Formula:
C19H29N7O3S

M.W.:
435.55

Type:
---

AlogP:
1.57

Polar Surface Area:
122.11

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5281814

Name:
4-fluoro-N-(4-fluoro-2-(3-(methylthio)-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazShow More⌵

Mol. Formula:
C17H14F2N4O2S

M.W.:
376.39

Type:
---

AlogP:
2.29

Polar Surface Area:
82.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5281251

Name:
8-cyclopentyl-6-hydrazinyl-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pteriShow More⌵

Mol. Formula:
C17H26N8O3S

M.W.:
422.52

Type:
---

AlogP:
0.42

Polar Surface Area:
148.13

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5280538

Name:
6-hydroxy-2-((1-(methylsulfonyl)piperidin-4-yl)amino)-8-(pyrrolidin-3-yl)ptShow More⌵

Mol. Formula:
C16H23N7O4S

M.W.:
409.47

Type:
---

AlogP:
-0.74

Polar Surface Area:
142.34

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5280432

Name:
8-(sec-butyl)-6-methoxy-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pteridinShow More⌵

Mol. Formula:
C17H26N6O4S

M.W.:
410.50

Type:
---

AlogP:
1.00

Polar Surface Area:
119.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280030

Name:
6-methoxy-2-((1-(methylsulfonyl)piperidin-4-yl)amino)-8-(tetrahydro-2H-pyraShow More⌵

Mol. Formula:
C18H26N6O5S

M.W.:
438.51

Type:
---

AlogP:
0.38

Polar Surface Area:
128.54

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279829

Name:
6-(5-fluoro-2-(methylamino)phenyl)-3-(methylthio)-3,4-dihydro-1,2,4-triazinShow More⌵

Mol. Formula:
C11H13FN4OS

M.W.:
268.32

Type:
---

AlogP:
0.94

Polar Surface Area:
65.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279668

Name:
6-(2-amino-5-fluorophenyl)-3-(4-fluorophenylamino)-3,4-dihydro-1,2,4-triaziShow More⌵

Mol. Formula:
C15H13F2N5O

M.W.:
317.30

Type:
---

AlogP:
1.37

Polar Surface Area:
91.54

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5278558

Name:
4-(5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl)-6-methyl-3-thioxo-3,4-dihydrShow More⌵

Mol. Formula:
C19H12F2N6OS

M.W.:
410.41

Type:
---

AlogP:
3.40

Polar Surface Area:
89.35

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5277127

Name:
8-(4-hydroxyphenyl)imidazo[1,2-c]pyrimidin-5(6H)-one

Mol. Formula:
C12H9N3O2

M.W.:
227.22

Type:
---

AlogP:
1.40

Polar Surface Area:
70.39

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5276184

Name:
8-cyclopentyl-2-((1-(ethylsulfonyl)piperidin-4-yl)amino)-6-hydroxypteridin-Show More⌵

Mol. Formula:
C18H26N6O4S

M.W.:
422.51

Type:
---

AlogP:
1.23

Polar Surface Area:
130.31

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5276169

Name:
6-methoxy-2-((1-(methylsulfonyl)piperidin-4-yl)amino)-8-(pentan-3-yl)pteridShow More⌵

Mol. Formula:
C18H28N6O4S

M.W.:
424.53

Type:
---

AlogP:
1.39

Polar Surface Area:
119.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275822

Name:
4-((8-cyclopentyl-6-methoxy-7-oxo-7,8-dihydropteridin-2-yl)amino)-N,N-dimetShow More⌵

Mol. Formula:
C19H29N7O4S

M.W.:
451.55

Type:
---

AlogP:
0.99

Polar Surface Area:
122.55

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5275414

Name:
8-cyclopentyl-6-hydrazinyl-2-((4-(methylsulfonyl)phenyl)amino)pteridin-7(8HShow More⌵

Mol. Formula:
C18H21N7O3S

M.W.:
415.48

Type:
---

AlogP:
1.73

Polar Surface Area:
144.89

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS