Compounds

ALA5272437

Name:
tert-butyl (4-(2-((2-(3-ethylureido)benzo[d]thiazol-6-yl)amino)-2-oxoethyl)Show More⌵

Mol. Formula:
C20H24N6O4S2

M.W.:
476.58

Type:
---

AlogP:
4.42

Polar Surface Area:
134.34

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5271712

Name:
methyl (4-(4,5-dichloro-1H-pyrrole-2-carboxamido)-3-isobutoxybenzoyl)glycinShow More⌵

Mol. Formula:
C19H21Cl2N3O5

M.W.:
442.30

Type:
---

AlogP:
3.51

Polar Surface Area:
109.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5271348

Name:
5-(2-(4-(((7-fluoro-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methShow More⌵

Mol. Formula:
C26H27FN6O5

M.W.:
522.54

Type:
---

AlogP:
2.27

Polar Surface Area:
123.75

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5267724

Name:
5-(2-(4-(((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl)amino)Show More⌵

Mol. Formula:
C24H25N7O4

M.W.:
475.51

Type:
---

AlogP:
1.52

Polar Surface Area:
127.41

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5281739

Name:
2-(4-(4,5-dichloro-1H-pyrrole-2-carboxamido)-3-isobutoxybenzamido)acetic acShow More⌵

Mol. Formula:
C18H19Cl2N3O5

M.W.:
428.27

Type:
---

AlogP:
3.42

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5281268

Name:
(S)-4-((2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3-(4-hydroxyphenyl)propanaShow More⌵

Mol. Formula:
C22H19Br2N3O5

M.W.:
565.22

Type:
---

AlogP:
3.60

Polar Surface Area:
131.52

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5280982

Name:
(4-(4,5-dichloro-1H-pyrrole-2-carboxamido)-3-methoxybenzoyl)glycine

Mol. Formula:
C15H13Cl2N3O5

M.W.:
386.19

Type:
---

AlogP:
2.40

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5279384

Name:
(S)-3,4-dichloro-N-(2-(2-(3,4-dihydroxybenzamido)acetamido)-4,5,6,7-tetrahyShow More⌵

Mol. Formula:
C22H21Cl2N5O5S

M.W.:
538.41

Type:
---

AlogP:
3.15

Polar Surface Area:
156.44

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5278136

Name:
1-phenyl-1H-1,2,4-triazol-3-yl 5-chloro-3-methyl-1-(p-tolyl)-1H-pyrazole-4-Show More⌵

Mol. Formula:
C20H16ClN5O2

M.W.:
393.83

Type:
---

AlogP:
3.94

Polar Surface Area:
74.83

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5276758

Name:
(S)-4,5-dibromo-N-(2-(((5-hydroxy-4-oxo-4H-pyran-2-yl)methyl)amino)-4,5,6,7Show More⌵

Mol. Formula:
C18H16Br2N4O4S

M.W.:
544.23

Type:
---

AlogP:
3.55

Polar Surface Area:
120.25

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5274431

Name:
6-bromo-1-ethyl-3-(5-((4-methoxyphenyl)amino)-1,3,4-oxadiazol-2-yl)-7-methyShow More⌵

Mol. Formula:
C20H18BrN5O3

M.W.:
456.30

Type:
---

AlogP:
4.29

Polar Surface Area:
95.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5286715

Name:
7-fluoro-5-(2-(4-(((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methShow More⌵

Mol. Formula:
C25H25FN6O4

M.W.:
492.51

Type:
---

AlogP:
2.26

Polar Surface Area:
114.52

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5285496

Name:
2-(2-acetamidothiazol-4-yl)-N-(2-(3-ethylureido)benzo[d]thiazol-6-yl)acetamShow More⌵

Mol. Formula:
C17H18N6O3S2

M.W.:
418.50

Type:
---

AlogP:
3.03

Polar Surface Area:
125.11

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5284613

Name:
(S)-N-(3-((6-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-4,5,6,7-tetraShow More⌵

Mol. Formula:
C22H22Cl2N6O5S

M.W.:
553.43

Type:
---

AlogP:
2.53

Polar Surface Area:
169.07

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5284544

Name:
(S)-3,4-dichloro-N-(2-(((5-hydroxy-4-oxo-4H-pyran-2-yl)methyl)amino)-4,5,6,Show More⌵

Mol. Formula:
C19H18Cl2N4O4S

M.W.:
469.35

Type:
---

AlogP:
3.64

Polar Surface Area:
120.25

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5290948

Name:
7-(4-((4-benzyl-5-oxo-3-((4-phenylpiperazin-1-yl)methyl)-4,5-dihydro-1H-1,2Show More⌵

Mol. Formula:
C38H41FN8O4

M.W.:
692.80

Type:
---

AlogP:
3.68

Polar Surface Area:
112.08

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5290661

Name:
N-((S)-1-(((S)-6-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-4,5,6,7-tShow More⌵

Mol. Formula:
C22H22Cl2N6O5S

M.W.:
553.43

Type:
---

AlogP:
2.52

Polar Surface Area:
169.07

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5290499

Name:
7-fluoro-5-(2-(4-(((7-fluoro-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-Show More⌵

Mol. Formula:
C25H24F2N6O4

M.W.:
510.50

Type:
---

AlogP:
2.40

Polar Surface Area:
114.52

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5288936

Name:
7-fluoro-5-(2-(4-(((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methShow More⌵

Mol. Formula:
C25H25FN6O4

M.W.:
492.51

Type:
---

AlogP:
2.26

Polar Surface Area:
114.52

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5267215

Name:
methyl (S)-4-((2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3-(4-hydroxyphenyl)Show More⌵

Mol. Formula:
C23H21Br2N3O5

M.W.:
579.25

Type:
---

AlogP:
3.69

Polar Surface Area:
120.52

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS