Compounds

ALA5272644

Name:
N-(((S)-1-((S)-3-amino-3-((S)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanShow More⌵

Mol. Formula:
C25H29F2N3O4S

M.W.:
505.59

Type:
---

AlogP:
2.54

Polar Surface Area:
109.57

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272450

Name:
(2S,4S)-1-((S)-2-amino-3-(4-bromophenyl)propanoyl)-4-fluoropyrrolidine-2-caShow More⌵

Mol. Formula:
C14H15BrFN3O

M.W.:
340.20

Type:
---

AlogP:
1.78

Polar Surface Area:
70.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5271830

Name:
Ethyl 2-oxo-3-(2-oxo-2-(piperidin-1-yl)ethoxy)-2H-chromene-7-carboxylate

Mol. Formula:
C19H21NO6

M.W.:
359.38

Type:
---

AlogP:
2.36

Polar Surface Area:
86.05

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5271401

Name:
N-(4-fluorophenyl)-2-((4-morpholino-6-((4-(N-(thiazol-5-yl)sulfamoyl)phenylShow More⌵

Mol. Formula:
C24H24FN9O4S2

M.W.:
585.65

Type:
---

AlogP:
2.90

Polar Surface Area:
163.36

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5270959

Name:
2-amino-4-methyl-6-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)thiazolShow More⌵

Mol. Formula:
C16H18N8O3S

M.W.:
402.44

Type:
---

AlogP:
-1.12

Polar Surface Area:
132.24

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5270939

Name:
2-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-morpholinoethan-1-one

Mol. Formula:
C17H24ClN3O

M.W.:
321.85

Type:
---

AlogP:
2.47

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5270627

Name:
2-amino-6-(2-(4-(4-chlorophenyl)piperazin-1-yl)-2-oxoethyl)-4-methylthiazolShow More⌵

Mol. Formula:
C18H19ClN6O3S

M.W.:
434.91

Type:
---

AlogP:
0.74

Polar Surface Area:
106.46

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5270313

Name:
Tert-butyl ((3R)-1-(1-(but-2-yn-1-yl)-5-methyl-6,9-dioxo-3a,5,6,7,9,9a-hexaShow More⌵

Mol. Formula:
C22H31N7O4

M.W.:
457.54

Type:
---

AlogP:
0.04

Polar Surface Area:
110.15

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5270099

Name:
(2S,4S)-1-((S)-2-amino-3-(4-aminophenyl)propanoyl)-4-fluoropyrrolidine-2-caShow More⌵

Mol. Formula:
C14H17FN4O

M.W.:
276.31

Type:
---

AlogP:
0.60

Polar Surface Area:
96.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5269884

Name:
N-(((S)-1-((S)-3-amino-3-((S)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanShow More⌵

Mol. Formula:
C28H35F3N4O4S

M.W.:
580.67

Type:
---

AlogP:
3.30

Polar Surface Area:
112.81

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5269848

Name:
(1S,3aS,6aR)-2-((S)-2-amino-3-(2,4,5-trifluorophenyl)propanoyl)octahydrocycShow More⌵

Mol. Formula:
C17H18F3N3O

M.W.:
337.35

Type:
---

AlogP:
2.12

Polar Surface Area:
70.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5269746

Name:
N-(((S)-1-((S)-3-amino-3-((S)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanShow More⌵

Mol. Formula:
C24H26F4N4O4S

M.W.:
542.56

Type:
---

AlogP:
2.06

Polar Surface Area:
135.59

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5269668

Name:
3,3'-((8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-2,6-dioxo-4,5,6,7-teShow More⌵

Mol. Formula:
C28H28N10O2

M.W.:
536.60

Type:
---

AlogP:
1.00

Polar Surface Area:
158.84

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5268983

Name:
(R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-dihydropyShow More⌵

Mol. Formula:
C23H29N5O3

M.W.:
423.52

Type:
---

AlogP:
0.76

Polar Surface Area:
102.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5268865

Name:
2-amino-4-methyl-6-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)thiazolo[Show More⌵

Mol. Formula:
C17H19N7O3S

M.W.:
401.45

Type:
---

AlogP:
-0.52

Polar Surface Area:
119.35

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5268418

Name:
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(1-((trifluoromethyl)sulfonyl)-4,6-dihyShow More⌵

Mol. Formula:
C17H17F5N4O3S

M.W.:
452.41

Type:
---

AlogP:
2.03

Polar Surface Area:
90.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5268023

Name:
(S)-1-((S)-3-amino-4-(4-(1-cyclohexyl-1H-1,2,3-triazol-4-yl)phenyl)butanoylShow More⌵

Mol. Formula:
C23H30N6O

M.W.:
406.53

Type:
---

AlogP:
3.22

Polar Surface Area:
100.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5267798

Name:
(2S)-2-[4-[[[(4R)-3-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]thiazolidiShow More⌵

Mol. Formula:
C26H32F2N4O4S

M.W.:
534.63

Type:
---

AlogP:
2.96

Polar Surface Area:
124.76

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5267753

Name:
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(1-((1-methyl-1H-imidazol-2-yl)sulfonylShow More⌵

Mol. Formula:
C20H22F2N6O3S

M.W.:
464.50

Type:
---

AlogP:
1.30

Polar Surface Area:
108.27

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5282009

Name:
(R)-4-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-Show More⌵

Mol. Formula:
C19H19F3N4

M.W.:
360.38

Type:
---

AlogP:
3.63

Polar Surface Area:
56.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS