Compounds

ALA1159913

Name:
(E)-2-Amino-5-(2,4-difluoro-phenyl)-5-pyridin-3-yl-pent-4-enoic acid anion

Mol. Formula:
C16H14F2N2O2

M.W.:
304.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
76.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA283230

Name:
(E)-2-Amino-5-(4-tert-butyl-phenyl)-5-(2,4-difluoro-phenyl)-pent-4-enoic acShow More⌵

Mol. Formula:
C21H22F2NNaO2

M.W.:
381.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA283017

Name:
Sodium salt 2-amino-5,5-bis-(4-isopropyl-phenyl)-pent-4-enoate

Mol. Formula:
C23H28NNaO2

M.W.:
373.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA28016

Name:
Sodium salt (Z)-2-amino-5-(2,4-difluoro-phenyl)-5-thiophen-3-yl-pent-4-enoaShow More⌵

Mol. Formula:
C15H12F2NNaO2S

M.W.:
331.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA285592

Name:
Sodium salt (E)-2-amino-5-(4-cyano-phenyl)-5-(4-isopropyl-phenyl)-pent-4-enShow More⌵

Mol. Formula:
C21H21N2NaO2

M.W.:
356.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
87.11

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA285370

Name:
Sodium salt (E)-2-amino-5-(4-isopropyl-phenyl)-5-thiophen-3-yl-pent-4-enoatShow More⌵

Mol. Formula:
C18H20NNaO2S

M.W.:
337.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA416203

Name:
Sodium salt (Z)-2-amino-5-(2,4-difluoro-phenyl)-5-(4-isopropyl-phenyl)-pentShow More⌵

Mol. Formula:
C20H20F2NNaO2

M.W.:
367.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA29220

Name:
Sodium salt (E)-2-amino-5-(2-fluoro-phenyl)-5-(4-isopropyl-phenyl)-pent-4-eShow More⌵

Mol. Formula:
C20H21FNNaO2

M.W.:
349.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA286706

Name:
Sodium salt (E)-2-amino-5-(4-tert-butyl-phenyl)-5-(4-isopropyl-phenyl)-pentShow More⌵

Mol. Formula:
C24H30NNaO2

M.W.:
387.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA28570

Name:
Sodium salt (E)-2-amino-5-(4-isopropyl-phenyl)-5-pyridin-3-yl-pent-4-enoate

Mol. Formula:
C19H21N2NaO2

M.W.:
332.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
76.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA29279

Name:
Sodium salt (E)-2-amino-5-(2,4-difluoro-phenyl)-5-(4-methoxy-phenyl)-pent-4Show More⌵

Mol. Formula:
C18H16F2NNaO3

M.W.:
355.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
72.55

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA29964

Name:
Sodium salt (E)-2-amino-5-(4-isopropyl-phenyl)-5-(4-methoxy-phenyl)-pent-4-Show More⌵

Mol. Formula:
C21H24NNaO3

M.W.:
361.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
72.55

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA281450

Name:
Sodium salt (E)-2-amino-5-biphenyl-4-yl-5-(4-isopropyl-phenyl)-pent-4-enoatShow More⌵

Mol. Formula:
C26H26NNaO2

M.W.:
407.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA27850

Name:
Sodium salt (Z)-2-amino-5-biphenyl-4-yl-5-(2,4-difluoro-phenyl)-pent-4-enoaShow More⌵

Mol. Formula:
C23H18F2NNaO2

M.W.:
401.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA28746

Name:
Sodium salt (E)-2-amino-5-(2,4-difluoro-phenyl)-5-(4-isopropyl-phenyl)-pentShow More⌵

Mol. Formula:
C20H20F2NNaO2

M.W.:
367.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA287626

Name:
Sodium salt (E)-2-amino-5-(4-cyano-phenyl)-5-(2,4-difluoro-phenyl)-pent-4-eShow More⌵

Mol. Formula:
C18H13F2N2NaO2

M.W.:
350.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
87.11

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA28549

Name:
Sodium salt (E)-2-amino-5-(2,4-difluoro-phenyl)-5-(3-isopropyl-phenyl)-pentShow More⌵

Mol. Formula:
C20H20F2NNaO2

M.W.:
367.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA29396

Name:
Sodium salt (E)-2-amino-5-biphenyl-4-yl-5-(2,4-difluoro-phenyl)-pent-4-enoaShow More⌵

Mol. Formula:
C23H18F2NNaO2

M.W.:
401.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA29023

Name:
Sodium salt (E)-2-amino-5-(2,4-difluoro-phenyl)-5-p-tolyl-pent-4-enoate

Mol. Formula:
C18H16F2NNaO2

M.W.:
339.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA29022

Name:
Sodium salt (E)-2-amino-5-biphenyl-2-yl-5-(2,4-difluoro-phenyl)-pent-4-enoaShow More⌵

Mol. Formula:
C23H18F2NNaO2

M.W.:
401.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS