Compounds

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
111.16

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4593963

Name:
O-Phenoxycarbonyl-N-(4-aminobutoxycarbonyl)hydroxylamine 2,2,2-trifluoroaceShow More⌵

Mol. Formula:
C15H17F3N2O8

M.W.:
410.30

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
116.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4583358

Name:
O-(Phenoxycarbonyl)-N-(4-butyloxycarbonyl)hydroxylamine

Mol. Formula:
C12H15NO5

M.W.:
253.25

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4582529

Name:
O-Phenoxycarbonyl-N-benzyloxycarbonylhydroxylamine

Mol. Formula:
C15H13NO5

M.W.:
287.27

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4535968

Name:
O-phenoxycarbonyl-N-(R)-[(4-amino-4-carboxy-1-butyl)oxycarbonyl]hydroxylamiShow More⌵

Mol. Formula:
C13H16N2O7

M.W.:
312.28

3 activity values

Type:
Unknown

AlogP:
1.04

Polar Surface Area:
137.18

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4520276

Name:
O-[(N-Phenoxycarbonyloxy)aminocarbonyl]-D-tyrosine

Mol. Formula:
C17H16N2O7

M.W.:
360.32

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
137.18

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4514634

Name:
O-(Phenoxycarbonyl)-N-(2-phenylethoxycarbonyl)hydroxylamine

Mol. Formula:
C16H15NO5

M.W.:
301.30

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1161696

Name:
3-Benzylcarbamoyl-2-oxo-chroman-8-carboxylic acid anion

Mol. Formula:
C18H15NO5

M.W.:
325.32

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1161695

Name:
3-Benzylcarbamoyl-2-oxo-chroman-7-carboxylic acid anion

Mol. Formula:
C18H15NO5

M.W.:
325.32

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1161693

Name:
2-Oxo-3-phenylacetylamino-chroman-8-carboxylic acid anion

Mol. Formula:
C18H15NO5

M.W.:
325.32

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1160429

Name:
(R)-2-((S)-2-Phenylacetylamino-propionylamino)-propionic acid anion

Mol. Formula:
C14H18N2O4

M.W.:
278.31

Type:
Small molecule

AlogP:
0.32

Polar Surface Area:
95.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1160428

Name:
2-[2-((S)-2,6-Bis-acetylamino-hexanoylamino)-acetoxy]-propionic acid anion

Mol. Formula:
C15H25N3O7

M.W.:
359.38

Type:
Small molecule

AlogP:
-1.07

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1160427

Name:
(S)-2-[2-((S)-2,6-Bis-acetylamino-1-(R)-oxo-hexylamino)-propionylamino]-proShow More⌵

Mol. Formula:
C16H28N4O6

M.W.:
372.42

7 activity values

Type:
Protein

AlogP:
-1.11

Polar Surface Area:
153.70

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1160426

Name:
(R)-2-(2-Phenylacetylamino-acetylsulfanyl)-propionic acid anion

Mol. Formula:
C13H15NO4S

M.W.:
281.33

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA1160425

Name:
(R)-2-((S)-2-Phenylacetylamino-propionyloxy)-propionic acid anion

Mol. Formula:
C14H17NO5

M.W.:
279.29

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1160424

Name:
(R)-2-(2-Phenylacetylamino-acetoxy)-propionic acid anion

Mol. Formula:
C13H15NO5

M.W.:
265.26

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1160423

Name:
(S)-2-[2-((S)-2,6-Bis-acetylamino-1-(R)-oxo-hexylamino)-propionyloxy]-propiShow More⌵

Mol. Formula:
C16H27N3O7

M.W.:
373.41

Type:
Small molecule

AlogP:
-0.68

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1160422

Name:
2-[2-((S)-2,6-Bis-acetylamino-hexanoylamino)-acetylsulfanyl]-propionic acidShow More⌵

Mol. Formula:
C15H25N3O6S

M.W.:
375.45

Type:
Small molecule

AlogP:
-0.35

Polar Surface Area:
141.67

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1160421

Name:
(R)-2-(2-Phenylacetylamino-acetylamino)-propionic acid anion

Mol. Formula:
C13H16N2O4

M.W.:
264.28

2 activity values

Type:
Small molecule

AlogP:
-0.07

Polar Surface Area:
95.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1160420

Name:
2-[2-((S)-2,6-Bis-acetylamino-hexanoylamino)-acetylamino]-propionic acid anShow More⌵

Mol. Formula:
C15H26N4O6

M.W.:
358.40