Compounds

ALA5093771

Name:
(R)-N-((S)-1-amino-3-(2-bromophenyl)-1-oxopropan-2-yl)-2-(3,3-diphenylacrylShow More⌵

Mol. Formula:
C30H33BrN6O3

M.W.:
605.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5093184

Name:
(R)-N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-2-(3,3-diphenylacrylamidoShow More⌵

Mol. Formula:
C27H36N6O3

M.W.:
492.62

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5091693

Name:
(S)-2-((R)-2-(3,3-diphenylacrylamido)-5-guanidinopentanamido)succinamide

Mol. Formula:
C25H31N7O4

M.W.:
493.57

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.29

Polar Surface Area:
206.28

HBA:
5

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5091013

Name:
(R)-N-(2-amino-2-oxoethyl)-2-(3,3-diphenylacrylamido)-5-guanidinopentanamidShow More⌵

Mol. Formula:
C23H28N6O3

M.W.:
436.52

19 activity values

9 unique targets

Type:
Unknown

AlogP:
0.47

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5090293

Name:
(R)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(3,3-diphenylacrylamido)-5-Show More⌵

Mol. Formula:
C30H34N6O3

M.W.:
526.64

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5088703

Name:
(R)-N-((R)-1-amino-1-oxopropan-2-yl)-2-(3,3-diphenylacrylamido)-5-guanidinoShow More⌵

Mol. Formula:
C24H30N6O3

M.W.:
450.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5088429

Name:
(R)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(3,3-diphenylacrylamido)-5-gShow More⌵

Mol. Formula:
C26H34N6O3

M.W.:
478.60

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.49

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5087609

Name:
(R)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-2-(3,3-diphenylacrShow More⌵

Mol. Formula:
C30H34N6O4

M.W.:
542.64

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
183.42

HBA:
5

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5085324

Name:
(R)-N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-2-(3,3-diphenylacrylamido)-5-Show More⌵

Mol. Formula:
C27H36N6O3

M.W.:
492.62

32 activity values

12 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5085023

Name:
(R)-N-((S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl)-2-(3,3-diphenylacrylamidoShow More⌵

Mol. Formula:
C30H40N6O3

M.W.:
532.69

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5084208

Name:
(R)-N-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-(3,3-diphenylacrylShow More⌵

Mol. Formula:
C32H35N7O3

M.W.:
565.68

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
178.98

HBA:
4

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5082273

Name:
(S)-2-((R)-2-(3,3-diphenylacrylamido)-5-guanidinopentanamido)pentanediamide

Mol. Formula:
C26H33N7O4

M.W.:
507.60

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.10

Polar Surface Area:
206.28

HBA:
5

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5082270

Name:
(R)-N-((S)-1-amino-1-oxopropan-2-yl)-2-(3,3-diphenylacrylamido)-5-guanidinoShow More⌵

Mol. Formula:
C24H30N6O3

M.W.:
450.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5082175

Name:
(R)-N-((R)-1-amino-3-(2-bromophenyl)-1-oxopropan-2-yl)-2-(3,3-diphenylacrylShow More⌵

Mol. Formula:
C30H33BrN6O3

M.W.:
605.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5076959

Name:
(R)-N-((R)-1-amino-4-methyl-1-oxopentan-2-yl)-2-(3,3-diphenylacrylamido)-5-Show More⌵

Mol. Formula:
C27H36N6O3

M.W.:
492.62

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5075638

Name:
(R)-N-((S)-1-amino-1-oxo-4-phenylbutan-2-yl)-2-(3,3-diphenylacrylamido)-5-gShow More⌵

Mol. Formula:
C31H36N6O3

M.W.:
540.67

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5074999

Name:
(R)-N-((R)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(3,3-diphenylacrylamido)-5-Show More⌵

Mol. Formula:
C30H34N6O3

M.W.:
526.64

13 activity values

9 unique targets

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5071745

Name:
(R)-N-((R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-(3,3-diphenylacrylShow More⌵

Mol. Formula:
C32H35N7O3

M.W.:
565.68

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
178.98

HBA:
4

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4800557

Name:
(2S,4S)-pentyl 1-(2-chlorobenzyl)-4-(4-methoxybenzylamino)pyrrolidine-2-carShow More⌵

Mol. Formula:
C25H33ClN2O3

M.W.:
445.00

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
50.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4799458

Name:
1-(6-chloro-4-methylquinolin-2-yl)guanidine

Mol. Formula:
C11H11ClN4

M.W.:
234.69

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
74.79

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS