Compounds

Fmoc-D-Tyr(PO3H2)-OH

Name:
2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-phosphonooxy-phenyl)-propionicShow More⌵

Mol. Formula:
C24H22NO8P

M.W.:
483.41

15 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
142.39

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA152301

Name:
N-alpha-FMOC-L-tryptophan

Mol. Formula:
C34H28N2O6

M.W.:
560.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.75

Polar Surface Area:
108.93

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

Fmoc-D-Leu-OH

Name:
2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoic acid

Mol. Formula:
C21H23NO4

M.W.:
353.42

22 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

Fmoc-D-Phe-OH

Name:
2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propionic acid

Mol. Formula:
C24H21NO4

M.W.:
387.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

Fmoc-D-Tyr(tBu)-OH

Name:
3-(4-tert-Butoxy-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic Show More⌵

Mol. Formula:
C28H29NO5

M.W.:
459.54

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
84.86

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA299912

Name:
7-Chloro-4-(3,4-dihydroxy-benzyl)-6-hydroxy-quinoline-2-carboxylic acid

Mol. Formula:
C17H12ClNO5

M.W.:
345.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
110.88

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA292347

Name:
4-(3,4-Dihydroxy-benzyl)-6-hydroxy-quinoline-2,7-dicarboxylic acid

Mol. Formula:
C18H13NO7

M.W.:
355.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
148.18

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA61196

Name:
7-Amino-4-(3,4-dihydroxy-benzyl)-6-methoxy-quinoline-2-carboxylic acid

Mol. Formula:
C18H16N2O5

M.W.:
340.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
125.90

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA418298

Name:
4-(3,4-Dihydroxy-benzyl)-quinoline-2,6-dicarboxylic acid

Mol. Formula:
C18H13NO6

M.W.:
339.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
127.95

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA60797

Name:
4-(3,4-Dihydroxy-benzyl)-7-fluoro-6-hydroxy-quinoline-2-carboxylic acid

Mol. Formula:
C17H12FNO5

M.W.:
329.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
110.88

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA56978

Name:
4-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-quinoline-2-carboxylic acid

Mol. Formula:
C17H13NO6

M.W.:
327.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
131.11

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA299259

Name:
7-Amino-4-(3,4-dihydroxy-benzyl)-6-hydroxy-quinoline-2-carboxylic acid

Mol. Formula:
C17H14N2O5

M.W.:
326.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
136.90

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS