Compounds

Type:
Unknown

AlogP:
7.14

Polar Surface Area:
207.20

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4798770

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-(2-azidoethoxy)ethoxy)-5-Show More⌵

Mol. Formula:
C38H53N7O10

M.W.:
767.88

8 activity values

Type:
Unknown

AlogP:
7.24

Polar Surface Area:
241.98

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4797927

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-(2-azidoethoxy)ethoxy)-5-Show More⌵

Mol. Formula:
C44H60N4O11

M.W.:
820.98

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
216.43

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4797481

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-((S)-2-amino-3-carboxypropanoyloxy)-Show More⌵

Mol. Formula:
C28H45NO6

M.W.:
491.67

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
126.92

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4795609

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-1-azido-16-oxo-3,6,9,12,15-penShow More⌵

Mol. Formula:
C44H65N7O13

M.W.:
900.04

Type:
Unknown

AlogP:
7.29

Polar Surface Area:
269.67

HBA:
16

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4793980

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-1-azido-13-oxo-3,6,9,12-tetraoShow More⌵

Mol. Formula:
C48H68N4O13

M.W.:
909.09

Type:
Unknown

AlogP:
7.19

Polar Surface Area:
234.89

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4793269

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-(2-(2-azidoethoxy)ethoxy)Show More⌵

Mol. Formula:
C41H59N5O11

M.W.:
797.95

Type:
Unknown

AlogP:
7.04

Polar Surface Area:
229.36

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4790244

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-azidoethoxy)-5-oxopentan-Show More⌵

Mol. Formula:
C37H51N5O9

M.W.:
709.84

Type:
Unknown

AlogP:
7.01

Polar Surface Area:
210.90

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4786588

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-1-azido-13-oxo-3,6,9,12-tetraoShow More⌵

Mol. Formula:
C43H63N5O12

M.W.:
842.00

Type:
Unknown

AlogP:
7.06

Polar Surface Area:
238.59

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4785533

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-azidoethoxy)-5-oxopentan-Show More⌵

Mol. Formula:
C36H49N7O9

M.W.:
723.83

Type:
Unknown

AlogP:
7.23

Polar Surface Area:
232.75

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4781666

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-(2-azidoethoxy)ethoxy)-5-Show More⌵

Mol. Formula:
C39H55N5O10

M.W.:
753.89

Type:
Unknown

AlogP:
7.03

Polar Surface Area:
220.13

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4779174

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-1-azido-16-oxo-3,6,9,12,15-penShow More⌵

Mol. Formula:
C45H67N5O13

M.W.:
886.05

Type:
Unknown

AlogP:
7.07

Polar Surface Area:
247.82

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4777310

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-1-azido-16-oxo-3,6,9,12,15-penShow More⌵

Mol. Formula:
C50H72N4O14

M.W.:
953.14

Type:
Unknown

AlogP:
7.21

Polar Surface Area:
244.12

HBA:
14

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4776137

Name:
(S)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-5-(2-(2-(2-azidoethoxy)ethoxy)Show More⌵

Mol. Formula:
C46H64N4O12

M.W.:
865.03

Type:
Unknown

AlogP:
7.18

Polar Surface Area:
225.66

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA1214872

Name:
Cytidine-5'-monophospho-5-(2-(4-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methShow More⌵

Mol. Formula:
C40H52N7Na2O18P

M.W.:
995.84

Type:
Small molecule

AlogP:
-2.55

Polar Surface Area:
394.08

HBA:
22

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA610554

Name:
(S)-2-{[(2R,3R,5R)-5-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahShow More⌵

Mol. Formula:
C12H19N4O9P

M.W.:
394.28

Type:
Small molecule

AlogP:
-2.38

Polar Surface Area:
206.46

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA608928

Name:
(S)-2-{[(2R,3R,5R)-5-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahShow More⌵

Mol. Formula:
C20H24N5O9P

M.W.:
509.41

Type:
Small molecule

AlogP:
-0.67

Polar Surface Area:
222.25

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA609800

Name:
(S)-2-{[(2R,3R,5R)-5-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahShow More⌵

Mol. Formula:
C18H23N4O9P

M.W.:
470.38

Type:
Small molecule

AlogP:
-1.15

Polar Surface Area:
206.46

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA609516

Name:
(S)-2-{[(2R,3R,5R)-5-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahShow More⌵

Mol. Formula:
C15H25N4O9P

M.W.:
436.36

Type:
Small molecule

AlogP:
-1.35

Polar Surface Area:
206.46

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA609514

Name:
(S)-3-{[(2R,3R,5R)-5-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahShow More⌵

Mol. Formula:
C13H19N4O11P

M.W.:
438.29