Compounds

ALA4094241

Name:
[((3S)-3-Amino-3-carboxy)propyl][(4,5-dihydroxy-3-nitrophenyl)hydroxymethylShow More⌵

Mol. Formula:
C11H15N2O9P

M.W.:
350.22

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.07

Polar Surface Area:
204.45

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4085750

Name:
[((3S,1'R)-3-Amino-3-carboxy)propyl][(3-nitrophenyl)-hydroxymethyl]phosphinShow More⌵

Mol. Formula:
C11H15N2O7P

M.W.:
318.22

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
163.99

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4085558

Name:
[((3S,1'R)-3-Amino-3-carboxy)propyl][(4-hydroxy-5-methoxy-3-nitrophenyl)hydShow More⌵

Mol. Formula:
C12H17N2O9P

M.W.:
364.25

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.37

Polar Surface Area:
193.45

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4085327

Name:
[((3S,1'R)-3-Amino-3-carboxy)propyl][(4-methoxy-3-nitrophenyl)hydroxymethylShow More⌵

Mol. Formula:
C12H17N2O8P

M.W.:
348.25

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
173.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4082813

Name:
[((3S)-3-Amino-3-carboxy)propyl][(4-hydroxy-3-nitrophenyl)methyl]phosphinicShow More⌵

Mol. Formula:
C11H15N2O7P

M.W.:
318.22

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
163.99

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4082270

Name:
[((3S)-3-Amino-3-carboxy)propyl][(4-morpholino-3-nitrophenyl)hydroxymethyl]Show More⌵

Mol. Formula:
C15H22N3O8P

M.W.:
403.33

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
176.46

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4081842

Name:
[((3S,1'S)-3-Amino-3-carboxy)propyl][(4-hydroxy-5-methoxy-3-nitrophenyl)hydShow More⌵

Mol. Formula:
C12H17N2O9P

M.W.:
364.25

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.37

Polar Surface Area:
193.45

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4072316

Name:
[((3S,1'S)-3-Amino-3-carboxy)propyl][(4-hydroxy-3-nitrophenyl)hydroxymethylShow More⌵

Mol. Formula:
C11H15N2O8P

M.W.:
334.22

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
184.22

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4063720

Name:
[((3S,1'S)-3-Amino-3-carboxy)propyl][(4-methoxy-3-nitrophenyl)hydroxymethylShow More⌵

Mol. Formula:
C12H17N2O8P

M.W.:
348.25

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
173.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4063142

Name:
[((3S)-3-Amino-3-carboxy)propyl][(3-nitro-4-trifluoromethylphenyl)hydroxymeShow More⌵

Mol. Formula:
C12H14F3N2O7P

M.W.:
386.22

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
163.99

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA81147

Name:
(S)-2-Amino-2-methyl-3-(3-phosphono-phenyl)-propionic acid

Mol. Formula:
C10H14NO5P

M.W.:
259.20

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.17

Polar Surface Area:
120.85

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA79393

Name:
(S)-3-Methyl-1,2,3,4-tetrahydro-isoquinoline-3,6-dicarboxylic acid

Mol. Formula:
C12H13NO4

M.W.:
235.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS