Compounds

ALA4877339

Name:
(2S)-2-((2S)-2-((((R)-1-amino-3-phenylpropyl)(hydr
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Mol. Formula:
C27H36N3O5P

M.W.:
513.58

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
145.51

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4872604

Name:
(S)-2-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2
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Mol. Formula:
C35H43N4O6P

M.W.:
646.73

8 activity values

4 unique targets

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
163.61

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4863168

Name:
(R)-2-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2
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Mol. Formula:
C27H37N4O4P

M.W.:
512.59

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
151.30

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1095254

Name:
(S)-2-Amino-N-((S)-1-(2-(hydroxyamino)-2-oxoethyl)
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Mol. Formula:
C16H21ClN4O6

M.W.:
400.82

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.60

Polar Surface Area:
162.06

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1095253

Name:
(S)-N-((S)-1-(2-(Hydroxyamino)-2-oxoethyl)-2,6-dio
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Mol. Formula:
C13H22ClN5O5

M.W.:
363.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.80

Polar Surface Area:
153.86

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1099248

Name:
(S)-2-Amino-N-((S)-1-(2-(hydroxyamino)-2-oxoethyl)
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Mol. Formula:
C16H21ClN4O5

M.W.:
384.82

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
-1.30

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1099247

Name:
(2S,3R)-2-Amino-N-((S)-1-(2-(hydroxyamino)-2-oxoet
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Mol. Formula:
C13H23ClN4O5

M.W.:
350.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.50

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1098910

Name:
(S)-2-Amino-N-((S)-1-(2-(hydroxyamino)-2-oxoethyl)
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Mol. Formula:
C13H23ClN4O5

M.W.:
350.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.50

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1097590

Name:
(S)-2-Amino-N-((S)-1-(2-(hydroxyamino)-2-oxoethyl)
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Mol. Formula:
C12H21ClN4O5

M.W.:
336.78

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.89

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1097589

Name:
(S)-2-Amino-N-((S)-1-(2-(hydroxyamino)-2-oxoethyl)
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Mol. Formula:
C10H17ClN4O5

M.W.:
308.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.53

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1097214

Name:
(S)-2-Amino-N-(1-(2-(hydroxyamino)-2-oxoethyl)-2,6
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Mol. Formula:
C9H15ClN4O5

M.W.:
294.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.92

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1095255

Name:
2-((S)-3-((S)-2-Amino-3-(4-hydroxyphenyl)propanami
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Mol. Formula:
C16H20ClN3O6

M.W.:
385.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.02

Polar Surface Area:
150.03

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1094936

Name:
2-((S)-2,6-Dioxo-3-((S)-pyrrolidine-2-carboxamido)
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Mol. Formula:
C13H21ClN4O5

M.W.:
348.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.22

Polar Surface Area:
141.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1098908

Name:
2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-2,6-dio
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Mol. Formula:
C16H20ClN3O5

M.W.:
369.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.73

Polar Surface Area:
129.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1098907

Name:
2-((S)-3-((2S,3R)-2-Amino-3-methylpentanamido)-2,6
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Mol. Formula:
C13H22ClN3O5

M.W.:
335.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.92

Polar Surface Area:
129.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1098906

Name:
2-((S)-3-((S)-2-Amino-4-methylpentanamido)-2,6-dio
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Mol. Formula:
C13H22ClN3O5

M.W.:
335.79

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.92

Polar Surface Area:
129.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1097596

Name:
2-((S)-3-((S)-2-amino-3-methylbutanamido)-2,6-diox
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Mol. Formula:
C12H20ClN3O5

M.W.:
321.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.31

Polar Surface Area:
129.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1097595

Name:
2-((S)-3-((S)-2-Aminopropanamido)-2,6-dioxopiperid
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Mol. Formula:
C10H16ClN3O5

M.W.:
293.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.95

Polar Surface Area:
129.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1097594

Name:
(S)-2-(3-(2-Aminoacetamido)-2,6-dioxopiperidin-1-y
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Mol. Formula:
C9H14ClN3O5

M.W.:
279.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.34

Polar Surface Area:
129.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1096255

Name:
Ethyl-2-((S)-2,6-dioxo-3-((S)-pyrrolidine-2-carbox
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Mol. Formula:
C15H25ClN4O5

M.W.:
376.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.74

Polar Surface Area:
130.83

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS