Compounds

ALA4534969

Name:
4-(guanidinomethyl)phenyl(naphthalene-2-yl)carbonate

Mol. Formula:
C19H17N3O3

M.W.:
335.36

23 activity values

15 unique targets

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
85.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3273014

Name:
(S)-1-(1-methylhydrazinyl)-1-oxopropan-2-yl 2-((S)-1-((S)-2-((S)-2-acetamidShow More⌵

Mol. Formula:
C19H33N7O7

M.W.:
471.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.17

Polar Surface Area:
183.48

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3273013

Name:
(S)-1-hydrazinyl-1-oxopropan-2-yl 2-((S)-1-((S)-2-((S)-2-acetamidopropanamiShow More⌵

Mol. Formula:
C18H31N7O7

M.W.:
457.49

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.52

Polar Surface Area:
192.27

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3273011

Name:
(S)-1-oxo-1-(phenylamino)propan-2-yl 2-((S)-1-((S)-2-((S)-2-acetamidopropanShow More⌵

Mol. Formula:
C24H34N6O7

M.W.:
518.57

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
166.25

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3273009

Name:
DL-1-amino-1-oxopropan-2-yl 2-((S)-1-((S)-2-((S)-1-acetylpyrrolidine-2-carbShow More⌵

Mol. Formula:
C20H32N6O7

M.W.:
468.51

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.53

Polar Surface Area:
171.45

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3273008

Name:
(S)-1-amino-1-oxopropan-2-yl 2-((S)-1-((S)-2-((S)-2-acetamidopropanamido)prShow More⌵

Mol. Formula:
C18H30N6O7

M.W.:
442.47

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.02

Polar Surface Area:
180.24

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3273007

Name:
(S)-2-(2-((S)-1-((S)-2-((S)-2-acetamidopropanamido)propanoyl)pyrrolidine-2-Show More⌵

Mol. Formula:
C18H29N5O8

M.W.:
443.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.42

Polar Surface Area:
174.45

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3273006

Name:
(S)-1-((S)-1-ethoxy-1-oxo-3-phenylpropan-2-ylamino)-1-oxopropan-2-yl 2-((S)Show More⌵

Mol. Formula:
C29H42N6O9

M.W.:
618.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.21

Polar Surface Area:
192.55

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3273005

Name:
(S)-1-((S)-1-ethoxy-1-oxopropan-2-yloxy)-1-oxopropan-2-yl 2-((S)-1-((S)-2-(Show More⌵

Mol. Formula:
C25H39N5O10

M.W.:
569.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
180.96

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3273004

Name:
(S)-1-((S)-1-ethoxy-1-oxopropan-2-yloxy)-1-oxopropan-2-yl 2-((S)-1-((S)-2-(Show More⌵

Mol. Formula:
C23H37N5O10

M.W.:
543.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.01

Polar Surface Area:
189.75

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3273003

Name:
(S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl 2-((S)-1-((S)-2-((S)-2-acetamidopropShow More⌵

Mol. Formula:
C26H37N5O8

M.W.:
547.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.28

Polar Surface Area:
163.45

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3273001

Name:
(S)-1-ethoxy-1-oxopropan-2-yl 2-((S)-2-acetamidopropanoyl)-1-methylhydrazinShow More⌵

Mol. Formula:
C12H21N3O6

M.W.:
303.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
114.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3273000

Name:
(S)-1-ethoxy-1-oxopropan-2-yl 2-acetyl-1-methylhydrazinecarboxylate

Mol. Formula:
C9H16N2O5

M.W.:
232.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.06

Polar Surface Area:
84.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3272704

Name:
(S)-((S)-1-ethoxy-1-oxopropan-2-yl)2-((S)-1-((S)-2-((S)-1-acetylpyrrolidineShow More⌵

Mol. Formula:
C23H36N4O8

M.W.:
496.56

3 activity values

2 unique targets

Type:
Protein

AlogP:
-0.51

Polar Surface Area:
151.42

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3272702

Name:
(S)-ethyl 2-(2-((S)-1-((S)-2-((S)-1-acetylpyrrolidine-2-carboxamido)propanoShow More⌵

Mol. Formula:
C22H36N6O7

M.W.:
496.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
157.46

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3272701

Name:
(S)-ethyl 2-(2-((S)-1-((S)-2-((S)-2-acetamidopropanamido)propanoyl)pyrrolidShow More⌵

Mol. Formula:
C20H34N6O7

M.W.:
470.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.37

Polar Surface Area:
166.25

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3272698

Name:
(S)-1-ethoxy-1-oxopropan-2-yl 2-((S)-1-((S)-2-((S)-2-acetamidopropanamido)pShow More⌵

Mol. Formula:
C20H33N5O8

M.W.:
471.51

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.94

Polar Surface Area:
163.45

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3272697

Name:
(S)-ethyl 2-(2-acetamidopropanoyl)-1-methylhydrazinecarboxylate

Mol. Formula:
C9H17N3O4

M.W.:
231.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3272696

Name:
ethyl 2-((S)-1-((S)-2-((S)-2-(tert-butoxycarbonylamino)propanamido)propanoyShow More⌵

Mol. Formula:
C19H33N5O7

M.W.:
443.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.17

Polar Surface Area:
155.17

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3272359

Name:
ethyl 2-((S)-1-((S)-2-((S)-1-acetylpyrrolidine-2-carboxamido)propanoyl)pyrrShow More⌵

Mol. Formula:
C18H29N5O6

M.W.:
411.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.73

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS