Compounds

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
44.89

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3707072

Name:
3-[2-Amino-2-({carboxy-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihShow More⌵

Mol. Formula:
C18H23N5O11

M.W.:
485.41

Type:
Small molecule

AlogP:
-5.10

Polar Surface Area:
252.37

HBA:
12

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3707071

Name:
[2-Amino-3-(3-fluoro-phenyl)-propionylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pShow More⌵

Mol. Formula:
C19H21FN4O8

M.W.:
452.40

Type:
Small molecule

AlogP:
-2.57

Polar Surface Area:
196.97

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3707069

Name:
[2-Amino-3-(2-amino-ethoxy)-propionylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyShow More⌵

Mol. Formula:
C15H23N5O9

M.W.:
417.38

Type:
Small molecule

AlogP:
-4.97

Polar Surface Area:
232.22

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3707028

Name:
(2-Amino-6-octanoylamino-hexanoylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimiShow More⌵

Mol. Formula:
C24H39N5O9

M.W.:
541.60

Type:
Small molecule

AlogP:
-1.30

Polar Surface Area:
226.07

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3706580

Name:
(2-Amino-3-hydroxy-butyrylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yShow More⌵

Mol. Formula:
C14H20N4O9

M.W.:
388.33

Type:
Small molecule

AlogP:
-4.57

Polar Surface Area:
217.20

HBA:
10

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3706579

Name:
(2-Amino-propionylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dShow More⌵

Mol. Formula:
C13H18N4O8

M.W.:
358.31

Type:
Small molecule

AlogP:
-3.93

Polar Surface Area:
196.97

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3706578

Name:
(2-Amino-propionylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dShow More⌵

Mol. Formula:
C13H18N4O8

M.W.:
358.31

Type:
Small molecule

AlogP:
-3.93

Polar Surface Area:
196.97

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3706577

Name:
[(2-Amino-propionyl)-methyl-amino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1Show More⌵

Mol. Formula:
C14H20N4O8

M.W.:
372.33

Type:
Small molecule

AlogP:
-3.59

Polar Surface Area:
188.18

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3706576

Name:
[2-Amino-3-hydroxy-4-(4-hydroxy-phenyl)-butyrylamino]-[5-(2,4-dioxo-3,4-dihShow More⌵

Mol. Formula:
C20H24N4O10

M.W.:
480.43

Type:
Small molecule

AlogP:
-3.64

Polar Surface Area:
237.43

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3085449

Name:
(2-Amino-5-ureido-pentanoylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-Show More⌵

Mol. Formula:
C16H24N6O9

M.W.:
444.40

Type:
Small molecule

AlogP:
-4.50

Polar Surface Area:
252.09

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3085448

Name:
(2-Amino-5-ureido-pentanoylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-Show More⌵

Mol. Formula:
C16H24N6O9

M.W.:
444.40

Type:
Small molecule

AlogP:
-4.50

Polar Surface Area:
252.09

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3084335

Name:
(2-Amino-5-ureido-pentanoylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-Show More⌵

Mol. Formula:
C16H24N6O9

M.W.:
444.40

Type:
Small molecule

AlogP:
-4.50

Polar Surface Area:
252.09

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2228796

Name:
(2-Amino-5-carbamoyloxy-3,4-dihydroxy-pentanoylamino)-[3,4-dihydroxy-5-(5-hShow More⌵

Mol. Formula:
C17H25N5O13

M.W.:
507.41

49 activity values

7 unique targets

Type:
Small molecule

AlogP:
-6.64

Polar Surface Area:
309.98

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1791441

Name:
[5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furanShow More⌵

Mol. Formula:
C19H30N4O8

M.W.:
442.47

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
182.98

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1791440

Name:
2-Amino-hexanoic acid {carbamoyl-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yShow More⌵

Mol. Formula:
C16H25N5O7

M.W.:
399.40

Type:
Small molecule

AlogP:
-3.36

Polar Surface Area:
202.76

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1791439

Name:
[2-Amino-3-(1H-indol-3-yl)-propionylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrShow More⌵

Mol. Formula:
C21H23N5O8

M.W.:
473.44

9 activity values

Type:
Small molecule

AlogP:
-2.22

Polar Surface Area:
212.76

HBA:
9

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1791438

Name:
[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl-acryloylamino]-[5-(2,4-dioxo-Show More⌵

Mol. Formula:
C28H29N5O9

M.W.:
579.57

Type:
Small molecule

AlogP:
-1.55

Polar Surface Area:
226.07

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1791437

Name:
(2-Aminooxy-3-phenyl-propionylamino)-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidinShow More⌵

Mol. Formula:
C19H22N4O9

M.W.:
450.40

Type:
Small molecule

AlogP:
-2.77

Polar Surface Area:
206.20

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1791436

Name:
1-(5-{[5-Carbamoyloxy-3,4-dihydroxy-2-(2-octanoylamino-3-phenyl-propionylamShow More⌵

Mol. Formula:
C34H46N6O16

M.W.:
794.77