Compounds

ALA4524098

Name:
1-(3,4,5-Trihydroxy-tetrahydro-pyran-2-yl)-[1,3]diazepan-2-one; compound wiShow More⌵

Mol. Formula:
C10H18N2O5

M.W.:
246.26

Type:
Unknown

AlogP:
-1.77

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3218780

Name:
2-Hydroxymethyl-5-(6-hydroxymethyl-1,6-dihydro-purin-9-yl)-tetrahydro-furanShow More⌵

Mol. Formula:
C11H16N4O5

M.W.:
284.27

Type:
Small molecule

AlogP:
-2.21

Polar Surface Area:
132.36

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3143508

Name:
5-(2-oxohexahydro-1-pyrimidinyl)-3,4-di(phenylcarbonyloxy)-2-phenylcarbonylShow More⌵

Mol. Formula:
C30H28N2O8

M.W.:
544.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
120.47

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3143505

Name:
5-(2-oxo-2,3,4,7-tetrahydro-1H-1,3-diazepin-1-yl)-3,4-di(phenylcarbonyloxy)Show More⌵

Mol. Formula:
C31H28N2O8

M.W.:
556.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
120.47

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3143504

Name:
5-(2-oxotetrahydro-1H-1-imidazolyl)-3,4-di(phenylcarbonyloxy)-2-phenylcarboShow More⌵

Mol. Formula:
C29H26N2O8

M.W.:
530.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
120.47

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3143503

Name:
5-(2-oxo-1,3-diazocan-1-yl)-3,4-di(phenylcarbonyloxy)-2-phenylcarbonyloxymeShow More⌵

Mol. Formula:
C32H32N2O8

M.W.:
572.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
120.47

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3143502

Name:
5-(2-oxo-1,3-diazepan-1-yl)-3,4-di(phenylcarbonyloxy)-2-phenylcarbonyloxymeShow More⌵

Mol. Formula:
C31H30N2O8

M.W.:
558.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
120.47

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3142688

Name:
4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-nitrooxy-tetrahydro-furan-2-yl)-1H-pShow More⌵

Mol. Formula:
C9H12N4O7

M.W.:
288.22

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
-2.35

Polar Surface Area:
162.97

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2367576

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-[1,3]diazepan-2-one

Mol. Formula:
C10H18N2O5

M.W.:
246.26

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.77

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2367575

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-tetrahydro-pyrimidiShow More⌵

Mol. Formula:
C9H16N2O5

M.W.:
232.24

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.16

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2311129

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-hydroxy-[1,3]diazShow More⌵

Mol. Formula:
C10H18N2O6

M.W.:
262.26

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.80

Polar Surface Area:
122.49

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

Tetrahydrouridine

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-hydroxy-tetrahydrShow More⌵

Mol. Formula:
C9H16N2O6

M.W.:
248.24

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
-2.84

Polar Surface Area:
122.49

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1232227

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3,4-dihydro-1H-pyriShow More⌵

Mol. Formula:
C9H14N2O5

M.W.:
230.22

Type:
Small molecule

AlogP:
-2.04

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA609349

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-[1,3]diazocan-2-one

Mol. Formula:
C11H20N2O5

M.W.:
260.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.38

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA608479

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-[1,3]diazepane-2,5-Show More⌵

Mol. Formula:
C10H16N2O6

M.W.:
260.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.59

Polar Surface Area:
119.33

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA610997

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,3,4,7-tetrahydro-Show More⌵

Mol. Formula:
C10H16N2O5

M.W.:
244.25

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.99

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA608656

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-tetrahydro-pyrimidiShow More⌵

Mol. Formula:
C9H16N2O5

M.W.:
232.24

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-3.14

Polar Surface Area:
102.26

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA608655

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-imidazolidin-2-one

Mol. Formula:
C8H14N2O5

M.W.:
218.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.55

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA604436

Name:
2-Hydroxymethyl-5-(8-hydroxy-6,7,8,8a-tetrahydro-3aH-imidazo[4,5-d][1,3]diaShow More⌵

Mol. Formula:
C11H18N4O5

M.W.:
286.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.54

Polar Surface Area:
130.14

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA604221

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-dihydroxymethyl-tShow More⌵

Mol. Formula:
C10H18N2O7

M.W.:
278.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.48

Polar Surface Area:
142.72

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS