Compounds

Type:
---

AlogP:
-0.17

Polar Surface Area:
101.88

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5205517

Name:
3,5-Bis(4-hydroxymethyl-1H-1,2,3-triazol-1yl)benzoic acid

Mol. Formula:
C13H12N6O4

M.W.:
316.28

Type:
---

AlogP:
-0.47

Polar Surface Area:
139.18

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5204249

Name:
1,1'-(1,3-phenylenebis(methylene))bis(1H-1,2,3-triazole-4,5-dicarboxylic acShow More⌵

Mol. Formula:
C16H12N6O8

M.W.:
416.31

Type:
---

AlogP:
-0.24

Polar Surface Area:
210.62

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5202511

Name:
(R)-3-((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrShow More⌵

Mol. Formula:
C23H28N6O13

M.W.:
596.51

Type:
---

AlogP:
-5.26

Polar Surface Area:
284.37

HBA:
14

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5202014

Name:
1,1'-(1,3-phenylenedicarbonyl)bis(4-piperidinecarboxylic acid)

Mol. Formula:
C20H24N2O6

M.W.:
388.42

Type:
---

AlogP:
1.56

Polar Surface Area:
115.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5207570

Name:
2,2'-(4,4'-((1,3-phenylenebis(oxy))bis(methylene))bis(1H-1,2,3-triazole-4,1Show More⌵

Mol. Formula:
C16H16N6O6

M.W.:
388.34

Type:
---

AlogP:
0.20

Polar Surface Area:
154.48

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5195359

Name:
3,5-Bis(4-carboxy-1H-1,2,3-triazol-1yl)benzoic acid

Mol. Formula:
C13H8N6O6

M.W.:
344.24

Type:
---

AlogP:
-0.06

Polar Surface Area:
173.32

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5181191

Name:
1,1'(5-carboxyisophthaloyl)bis(piperidine-4-carboxylic acid)

Mol. Formula:
C21H24N2O8

M.W.:
432.43

Type:
---

AlogP:
1.26

Polar Surface Area:
152.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5179790

Name:
1,1'(1,3-Phenylene)bis(1H-1,2,3-triazole-4-carboxylic acid)

Mol. Formula:
C12H8N6O4

M.W.:
300.23

Type:
---

AlogP:
0.24

Polar Surface Area:
136.02

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5179731

Name:
(1,3-phenylenebis(1H-1,2,3-triazole-1,4-diyl))dimethanesulfonic acid

Mol. Formula:
C12H12N6O6S2

M.W.:
400.40

Type:
---

AlogP:
-0.38

Polar Surface Area:
170.16

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5174669

Name:
2-(4-((((2S,3R,4S,5R)-3,4-dihydroxy-5-((4-(sulfomethyl)-1H-1,2,3-triazol-1-Show More⌵

Mol. Formula:
C14H22N6O10S2

M.W.:
498.50

Type:
---

AlogP:
-3.15

Polar Surface Area:
229.08

HBA:
14

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5174041

Name:
3,5-Bis(4-(sulfomethyl)-1H-1,2,3-triazol-1-yl)benzoic acid

Mol. Formula:
C13H12N6O8S2

M.W.:
444.41

Type:
---

AlogP:
-0.68

Polar Surface Area:
207.46

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5170654

Name:
(R)-3-((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuranShow More⌵

Mol. Formula:
C24H29N9O11

M.W.:
619.55

Type:
---

AlogP:
-4.39

Polar Surface Area:
299.13

HBA:
16

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2414524

Name:
1-[3',5'-Bis-S-(carboxymethyl)-2'-deoxy-3',5'-disulfonyl-beta-D-threo-pentoShow More⌵

Mol. Formula:
C14H18N2O11S2

M.W.:
454.44

Type:
Small molecule

AlogP:
-2.50

Polar Surface Area:
206.97

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2414523

Name:
3',5'-Dideoxy-3',5'-bis-S-[(carboxymethyl)thio]thymidine

Mol. Formula:
C14H18N2O7S2

M.W.:
390.44

Type:
Small molecule

AlogP:
0.14

Polar Surface Area:
138.69

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2414522

Name:
3',5'-Dideoxy-3',5'-bis-S-[(carboxymethyl)sulfonyl]thymidine

Mol. Formula:
C14H18N2O11S2

M.W.:
454.44

Type:
Small molecule

AlogP:
-2.50

Polar Surface Area:
206.97

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2414521

Name:
3'-Deoxy-3'-S-[(carboxymethyl)sulfonyl]thymidine

Mol. Formula:
C12H16N2O8S

M.W.:
348.33

Type:
Small molecule

AlogP:
-2.01

Polar Surface Area:
155.76

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2414520

Name:
3'-Deoxy-3'-S-[(carboxymethyl)thio]thymidine

Mol. Formula:
C12H16N2O6S

M.W.:
316.34

Type:
Small molecule

AlogP:
-0.69

Polar Surface Area:
121.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2414519

Name:
3'-Deoxy-3'-N-[(carboxymethyl)amino)]thymidine

Mol. Formula:
C12H17N3O6

M.W.:
299.28

Type:
Small molecule

AlogP:
-1.83

Polar Surface Area:
133.65

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2414518

Name:
3'-Deoxy-3'-O-[(carboxymethyl)oxo]thymidine

Mol. Formula:
C12H16N2O7

M.W.:
300.27