Compounds

ALA5272590

Name:
N-(3-(3-phenylureido)quinoxalin-6-yl)acrylamide

Mol. Formula:
C18H15N5O2

M.W.:
333.35

Type:
---

AlogP:
3.40

Polar Surface Area:
96.01

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5272200

Name:
(3S,3aR,6S,6aR)-6-[2-Chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]Show More⌵

Mol. Formula:
C22H22ClN3O6

M.W.:
459.89

Type:
---

AlogP:
2.95

Polar Surface Area:
104.19

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5272096

Name:
N4-(1H-indol-5-yl)-N2-(4-(4-methylpiperazin-1-yl)phenyl)-5-nitropyrimidine-Show More⌵

Mol. Formula:
C23H24N8O2

M.W.:
444.50

Type:
---

AlogP:
4.11

Polar Surface Area:
115.25

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5272004

Name:
(S)-1-(4-((4-((3,4-diChloro-2-fluorophenyl)amino)-7-((4-methylpentan-2-yl)oShow More⌵

Mol. Formula:
C28H31Cl2FN4O3

M.W.:
561.49

Type:
---

AlogP:
7.19

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5271978

Name:
1-(10-((3-(trifluoromethyl)phenyl)amino)-2,3-dihydro-4H-[1,4]oxazino[2,3-f]Show More⌵

Mol. Formula:
C20H17F3N4O2

M.W.:
402.38

Type:
---

AlogP:
4.53

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5271937

Name:
1-(10-((3-bromophenyl)amino)-2,3-dihydro-4H-[1,4]oxazino[2,3-f]quinazolin-4Show More⌵

Mol. Formula:
C19H17BrN4O2

M.W.:
413.28

Type:
---

AlogP:
4.27

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5271930

Name:
(S)-1-(4-((7-((Tetrahydrofuran-3-yl)oxy)-4-((2,3,4-trifluorophenyl)amino)quShow More⌵

Mol. Formula:
C26H25F3N4O4

M.W.:
514.50

Type:
---

AlogP:
4.51

Polar Surface Area:
85.81

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271568

Name:
6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)-N-(4-(phenylthio)phenyl)quinaShow More⌵

Mol. Formula:
C28H30N4O2S

M.W.:
486.64

Type:
---

AlogP:
6.25

Polar Surface Area:
59.51

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5271155

Name:
6-methoxy-N-(2-methyl-4-phenoxyphenyl)-7-((1-methylpiperidin-4-yl)methoxy)qShow More⌵

Mol. Formula:
C29H32N4O3

M.W.:
484.60

Type:
---

AlogP:
6.20

Polar Surface Area:
68.74

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5271043

Name:
5-fluoro-N4-(1H-indol-5-yl)-N2-(4-(4-methylpiperazin-1-yl)phenyl)pyrimidineShow More⌵

Mol. Formula:
C23H24FN7

M.W.:
417.49

Type:
---

AlogP:
4.34

Polar Surface Area:
72.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5270938

Name:
(S)-1-(4-((4-((3-Chloro-4-(Pyridin-2-ylmethoxy)phenyl)amino)-7-((tetrahydroShow More⌵

Mol. Formula:
C32H32ClN5O5

M.W.:
602.09

Type:
---

AlogP:
5.72

Polar Surface Area:
107.93

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5270822

Name:
4-(4-((6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-yl)amino)pShow More⌵

Mol. Formula:
C30H33N5O4

M.W.:
527.63

Type:
---

AlogP:
5.25

Polar Surface Area:
97.84

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5270506

Name:
N4-(1H-indol-5-yl)-5-methoxy-N2-(4-(4-methylpiperazin-1-yl)phenyl)pyrimidinShow More⌵

Mol. Formula:
C24H27N7O

M.W.:
429.53

Type:
---

AlogP:
4.21

Polar Surface Area:
81.34

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5270419

Name:
N-(3-chloro-4-(2-(2-nitro-1H-imidazol-1-yl)ethoxy)phenyl)-7-methoxy-6-(3-moShow More⌵

Mol. Formula:
C27H30ClN7O6

M.W.:
584.03

Type:
---

AlogP:
4.32

Polar Surface Area:
138.93

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5270336

Name:
N-(2-methyl-1,3-dioxoisoindolin-5-yl)-2-((4-oxo-3-(4-sulfamoylphenyl)-3,4-dShow More⌵

Mol. Formula:
C29H21N5O6S2

M.W.:
599.65

Type:
---

AlogP:
3.14

Polar Surface Area:
161.53

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5270309

Name:
(R)-1-(4-((4-((3,4-diChloro-2-fluorophenyl)amino)-7-(octan-2-yloxy)quinazolShow More⌵

Mol. Formula:
C30H35Cl2FN4O3

M.W.:
589.54

Type:
---

AlogP:
8.11

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5269747

Name:
N-(5-((5-bromo-4-((2,3-dihydro-1H-inden-5-yl)amino)pyrimidin-2-yl)amino)-4-Show More⌵

Mol. Formula:
C28H32BrN7O2

M.W.:
578.52

Type:
---

AlogP:
5.10

Polar Surface Area:
94.65

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5269684

Name:
1-(10-((3-chloro-4-fluorophenyl)amino)-2,3-dihydro-4H-[1,4]oxazino[2,3-f]quShow More⌵

Mol. Formula:
C18H14ClFN4O2

M.W.:
372.79

Type:
---

AlogP:
3.91

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5269391

Name:
N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-[1,4]oxazino[2,3-f]quinazolin-10Show More⌵

Mol. Formula:
C16H12ClFN4O

M.W.:
330.75

Type:
---

AlogP:
3.97

Polar Surface Area:
59.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5269375

Name:
methyl 2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-4-(1-methyl-1HShow More⌵

Mol. Formula:
C27H30N6O3

M.W.:
486.58

Type:
---

AlogP:
3.93

Polar Surface Area:
84.75

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS