Compounds

ALA5272656

Name:
N-((3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-methyl-3-phenylcycloShow More⌵

Mol. Formula:
C21H19N3O3

M.W.:
361.40

Type:
---

AlogP:
3.46

Polar Surface Area:
77.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5272459

Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-hydroxypropoxy)-4H-chromen-4-one

Mol. Formula:
C18H16O8

M.W.:
360.32

Type:
---

AlogP:
2.04

Polar Surface Area:
140.59

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5272409

Name:
benzyl ((S)-1-(((S)-1-(((S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl)amiShow More⌵

Mol. Formula:
C25H35F3N4O6

M.W.:
544.57

Type:
---

AlogP:
2.35

Polar Surface Area:
156.69

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271977

Name:
(S)-N-(4-(tert-butyl)phenyl)-N-(2-((3-fluorophenethyl)amino)-2-oxo-1-(pyridShow More⌵

Mol. Formula:
C28H30FN3O2

M.W.:
459.57

Type:
---

AlogP:
5.14

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271910

Name:
(1R,2S)-N-((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-1-((S)-3,3-dimethShow More⌵

Mol. Formula:
C21H28F3N5O4

M.W.:
471.48

Type:
---

AlogP:
0.68

Polar Surface Area:
140.19

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5271892

Name:
(S)-N-((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-4-((S)-3,3-dimethyl-2Show More⌵

Mol. Formula:
C20H28F3N5O5

M.W.:
475.47

Type:
---

AlogP:
-0.16

Polar Surface Area:
140.63

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5271624

Name:
(2S)-2-((S)-2-((((4,4-difluorocyclohexyl)oxy)carbonyl)amino)-4-methylpentanShow More⌵

Mol. Formula:
C20H33F2N3O8S

M.W.:
513.56

Type:
---

AlogP:
0.92

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5271510

Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-propyl-4H-chromen-4-one

Mol. Formula:
C18H16O6

M.W.:
328.32

Type:
---

AlogP:
3.23

Polar Surface Area:
111.13

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271421

Name:
(S)-2-((2S,3R)-2-((S)-2-acetamido-3-methylbutanamido)-3-(benzyloxy)butanamiShow More⌵

Mol. Formula:
C42H52N6O8

M.W.:
768.91

Type:
---

AlogP:
2.77

Polar Surface Area:
197.56

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5271299

Name:
3,3-diphenyl-N-(3-phenylpropyl)propanamide

Mol. Formula:
C24H25NO

M.W.:
343.47

Type:
---

AlogP:
4.96

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5271293

Name:
katsumadain A

Mol. Formula:
C32H28O4

M.W.:
476.57

Type:
---

AlogP:
6.69

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271265

Name:
(S)-2-((2S,3R)-2-((S)-2-acetamido-3-methylbutanamido)-3-hydroxybutanamido)-Show More⌵

Mol. Formula:
C28H43N5O7S

M.W.:
593.75

Type:
---

AlogP:
0.50

Polar Surface Area:
182.80

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5271221

Name:
(3-(((3-borono-5-nitrobenzoyl)oxy)methyl)phenyl)boronic acid

Mol. Formula:
C14H13B2NO8

M.W.:
344.88

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271003

Name:
benzyl (1-((4-fluoro-3-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)carbaShow More⌵

Mol. Formula:
C21H23FN2O4

M.W.:
386.42

Type:
---

AlogP:
2.57

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5270863

Name:
N-((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-methyl-3-phenylcyclopShow More⌵

Mol. Formula:
C20H16ClN3O2

M.W.:
365.82

Type:
---

AlogP:
4.11

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5270743

Name:
(1S,3aR,6aS)-2-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-1-oxo-3-((S)-2-oxopyrShow More⌵

Mol. Formula:
C23H27Cl2N3O5

M.W.:
496.39

Type:
---

AlogP:
2.21

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270638

Name:
2-methyl-3-phenyl-N-((3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)meShow More⌵

Mol. Formula:
C21H16F3N3O2

M.W.:
399.37

Type:
---

AlogP:
4.48

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5270591

Name:
(S)-N-((S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl)-2-(2-acetamidoacetamido)-Show More⌵

Mol. Formula:
C16H21N7O4

M.W.:
375.39

Type:
---

AlogP:
-1.78

Polar Surface Area:
161.73

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270522

Name:
(1R,2S,5S)-3-(2-(3,5-difluorophenoxy)acetyl)-6,6-dimethyl-N-((S)-1-oxo-3-((Show More⌵

Mol. Formula:
C23H27F2N3O5

M.W.:
463.48

Type:
---

AlogP:
1.04

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5270421

Name:
(R)-5-chloropyridin-3-yl 2-(6-methoxynaphthalen-2-yl)propanoate

Mol. Formula:
C19H16ClNO3

M.W.:
341.79

Type:
---

AlogP:
4.61

Polar Surface Area:
48.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS