Compounds

Type:
---

AlogP:
6.82

Polar Surface Area:
95.86

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5207447

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-((cyclopropylcarbamoyl)oxy)-5Show More⌵

Mol. Formula:
C34H53NO4

M.W.:
539.80

Type:
---

AlogP:
7.99

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5191234

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prShow More⌵

Mol. Formula:
C35H55NO4

M.W.:
553.83

Type:
---

AlogP:
8.33

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5190085

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-((isopropylcarbamoyl)oxy)-5a,Show More⌵

Mol. Formula:
C34H55NO4

M.W.:
541.82

6 activity values

5 unique targets

Type:
---

AlogP:
8.23

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5187845

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-((4Show More⌵

Mol. Formula:
C36H58N2O4

M.W.:
582.87

Type:
---

AlogP:
7.48

Polar Surface Area:
70.08

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5185215

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-((pShow More⌵

Mol. Formula:
C35H56N2O4

M.W.:
568.84

3 activity values

3 unique targets

Type:
---

AlogP:
7.14

Polar Surface Area:
78.87

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5177276

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-((pShow More⌵

Mol. Formula:
C36H57NO4

M.W.:
567.86

6 activity values

5 unique targets

Type:
---

AlogP:
8.72

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5177221

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-(((Show More⌵

Mol. Formula:
C37H60N2O5

M.W.:
612.90

Type:
---

AlogP:
7.16

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5170776

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-((4-aminopiperidine-1-carbonyShow More⌵

Mol. Formula:
C36H58N2O4

M.W.:
582.87

Type:
---

AlogP:
7.66

Polar Surface Area:
92.86

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5170520

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-((3-hydroxyazetidine-1-carbonShow More⌵

Mol. Formula:
C34H53NO5

M.W.:
555.80

Type:
---

AlogP:
6.91

Polar Surface Area:
87.07

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5094601

Name:
N4-(2-Chlorobenzyloxy)-3-methylcytidine-5'-alpha,beta-methylenediphosphonatShow More⌵

Mol. Formula:
C30H54ClN5O11P2

M.W.:
758.19

Type:
Unknown

AlogP:
-0.17

Polar Surface Area:
202.27

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5093165

Name:
N4-[(3-Ethyl)benzyloxy]-3-methylcytidine-5'-alpha,beta-methylenediphosphonaShow More⌵

Mol. Formula:
C32H59N5O11P2

M.W.:
751.80

Type:
Unknown

AlogP:
-0.26

Polar Surface Area:
202.27

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5092522

Name:
N4-[4-(Carbonyl)benzyloxy]-3-methylcytidine-5'-alpha,beta-methylenediphosphShow More⌵

Mol. Formula:
C31H55N5O13P2

M.W.:
767.75

Type:
Unknown

AlogP:
-1.13

Polar Surface Area:
239.57

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5089752

Name:
N4-{4-[(2-Aminobutyl)carbamoyl]benzyloxy}-3-methylcytidine-5'-alpha,beta-meShow More⌵

Mol. Formula:
C35H65N7O12P2

M.W.:
837.89

Type:
Unknown

AlogP:
-1.36

Polar Surface Area:
257.39

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5086866

Name:
N4-[4-(Methoxycarbonyl)benzyloxy]-3-methylcytidine-5'-alpha,beta-methylenedShow More⌵

Mol. Formula:
C32H57N5O13P2

M.W.:
781.78

Type:
Unknown

AlogP:
-1.04

Polar Surface Area:
228.57

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5084248

Name:
N4-[4-(Trifluoromethyl)benzyloxy]-3-methylcytidine-5'-alpha,beta-methylenedShow More⌵

Mol. Formula:
C31H54F3N5O11P2

M.W.:
791.74

Type:
Unknown

AlogP:
0.19

Polar Surface Area:
202.27

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5083600

Name:
N4-(4-Bromobenzyloxy)-3-methylcytidine-5'-alpha,beta-methylenediphosphonateShow More⌵

Mol. Formula:
C30H54BrN5O11P2

M.W.:
802.64

Type:
Unknown

AlogP:
-0.06

Polar Surface Area:
202.27

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5083016

Name:
4-[(Benzylcarbamoyl)imino]-3-methylcytidine-5'-alpha,beta-methylenediphosphShow More⌵

Mol. Formula:
C31H56N6O11P2

M.W.:
750.77

Type:
Unknown

AlogP:
-1.05

Polar Surface Area:
222.14

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5081604

Name:
N4-[(3-Trifluoromethyl)benzyloxy]-3-methylcytidine-5'-alpha,beta-methylenedShow More⌵

Mol. Formula:
C31H54F3N5O11P2

M.W.:
791.74