Compounds

ALA5272543

Name:
(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-((S)-3-amino-5-(1-methylguShow More⌵

Mol. Formula:
C17H30Cl3N9O4

M.W.:
530.85

Type:
---

AlogP:
-2.82

Polar Surface Area:
221.46

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5271904

Name:
(2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271276

Name:
ethyl 2-oxo-7-(2-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahShow More⌵

Mol. Formula:
C32H39N3O10

M.W.:
625.68

Type:
---

AlogP:
4.36

Polar Surface Area:
142.60

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5271056

Name:

Mol. Formula:
C23H28ClN3O

M.W.:
397.95

Type:
---

AlogP:
4.33

Polar Surface Area:
28.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5269988

Name:
(2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C76H104N18O9

M.W.:
1413.79

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268037

Name:
3,4-dimethyl-7-(2-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecaShow More⌵

Mol. Formula:
C31H39N3O8

M.W.:
581.67

Type:
---

AlogP:
4.80

Polar Surface Area:
116.30

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5281910

Name:
3,3'-(piperazine-1,4-diyl)bis(N-(4-chlorobenzyl)propan-1-amine)

Mol. Formula:
C24H34Cl2N4

M.W.:
449.47

Type:
---

AlogP:
4.27

Polar Surface Area:
30.54

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5281642

Name:
(S)-2,6-diamino-N-((5S,8S,11S,14S,17S,20S,23S,26S)-8,11,20,23-tetrakis((1H-Show More⌵

Mol. Formula:
C74H103N19O9

M.W.:
1402.76

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279489

Name:
(2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C80H106N18O9

M.W.:
1463.84

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279347

Name:
Hexyl (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-((S)-3-amino-5-(1-meShow More⌵

Mol. Formula:
C23H38N8O5

M.W.:
506.61

Type:
---

AlogP:
-0.18

Polar Surface Area:
204.67

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5278547

Name:
(2S)-2,6-diamino-N-((5S,8S,14S,17S,20S,23S,26S)-8,20,23-tris((1H-indol-3-ylShow More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278524

Name:
ethyl 2-oxo-8-((1-(2-(((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimethyldecahShow More⌵

Mol. Formula:
C32H39N3O10

M.W.:
625.68

Type:
---

AlogP:
4.36

Polar Surface Area:
142.60

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5277843

Name:
4-(trifluoromethyl)-8-((1-(3-(((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimetShow More⌵

Mol. Formula:
C31H36F3N3O8

M.W.:
635.64

Type:
---

AlogP:
5.60

Polar Surface Area:
116.30

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5277829

Name:
ethyl 2-oxo-7-(3-(4-((((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahShow More⌵

Mol. Formula:
C33H41N3O10

M.W.:
639.70

Type:
---

AlogP:
4.75

Polar Surface Area:
142.60

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5276659

Name:
2-((8S)-8-((1H-indol-3-yl)methyl)-14,17-diamino-2,11-bis(3-aminopropyl)-5-bShow More⌵

Mol. Formula:
C73H96N18O9

M.W.:
1369.69

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5276037

Name:
4-(trifluoromethyl)-8-((1-(2-(((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimetShow More⌵

Mol. Formula:
C30H34F3N3O8

M.W.:
621.61

Type:
---

AlogP:
5.21

Polar Surface Area:
116.30

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5275522

Name:
(2S)-2,6-diamino-N-((2S,5S,8S,11S,14S,20S)-5,14-bis((1H-indol-3-yl)methyl)-Show More⌵

Mol. Formula:
C72H94N16O8

M.W.:
1311.65

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5275362

Name:
(2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C82H109N17O9

M.W.:
1476.88

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274707

Name:
3-chloro-4-methyl-8-((1-(3-(((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimethyShow More⌵

Mol. Formula:
C31H38ClN3O8

M.W.:
616.11

Type:
---

AlogP:
5.54

Polar Surface Area:
116.30

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5274413

Name:
(2S)-2-((2S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS