Compounds

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616941

Name:
N-((3R,6S,9S,12S,15R,18S,21S,24S)-1-amino-6,9,18,21-tetrakis(2-aminoethyl)-Show More⌵

Mol. Formula:
C55H100N14O9

M.W.:
1101.49

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616940

Name:
N-((3R,6S,9S,12S,15R,18S,21S,24S)-1-amino-6,9,18,21-tetrakis(2-aminoethyl)-Show More⌵

Mol. Formula:
C51H88N14O9

M.W.:
1041.35

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616939

Name:
N-((3R,6S,9S,12S,15R,18S,21S,24S)-1-amino-6,9,18,21-tetrakis(2-aminoethyl)-Show More⌵

Mol. Formula:
C48H86N14O9

M.W.:
1003.30

53 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616938

Name:
N-((R)-6-amino-1-oxo-1-((3S,6S,9S,12R,15S,18S,21S)-6,9,18-tris(4-aminobutylShow More⌵

Mol. Formula:
C65H117N13O9

M.W.:
1224.73

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616937

Name:
N-((R)-4-amino-1-oxo-1-((3S,6S,9S,12R,15S,18S,21S)-6,9,18-tris(2-aminoethylShow More⌵

Mol. Formula:
C55H97N13O9

M.W.:
1084.46

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616936

Name:
N-((R)-4-amino-1-oxo-1-((3S,6S,9S,12R,15S,18S,21S)-6,9,18-tris(2-aminoethylShow More⌵

Mol. Formula:
C51H85N13O9

M.W.:
1024.32

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616935

Name:
N-((R)-4-amino-1-oxo-1-((3S,6S,9S,12R,15S,18S,21S)-6,9,18-tris(2-aminoethylShow More⌵

Mol. Formula:
C48H83N13O9

M.W.:
986.27

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
-2.06

Polar Surface Area:
365.98

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3616934

Name:
(9H-fluoren-9-yl)methyl-(R)-4-amino-1-oxo-1-((3S,6S,9S,12R,15S,18S,21S)-6,9Show More⌵

Mol. Formula:
C56H81N13O10

M.W.:
1096.34

7 activity values

6 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3616933

Name:
Battacin

Mol. Formula:
C50H87N13O10

M.W.:
1030.33

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2227811

Name:
2,2'-bis(3-hydroxy-1,4-naphthoquinone)

Mol. Formula:
C20H10O6

M.W.:
346.29

1 activity values

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
108.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1095373

Name:
(R)-2-((S)-5-imino-4-methylenepyrrolidine-2-carboxamido)-3-methylbutanoic aShow More⌵

Mol. Formula:
C11H17N3O3

M.W.:
239.28

1 activity values

Type:
Small molecule

AlogP:
0.11

Polar Surface Area:
102.28

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1095372

Name:
(S)-2-((R)-5-imino-4-methylenepyrrolidine-2-carboxamido)-3-methylbutanoic aShow More⌵

Mol. Formula:
C11H17N3O3

M.W.:
239.28

3 activity values

Type:
Small molecule

AlogP:
0.11

Polar Surface Area:
102.28

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1095371

Name:
(S)-2-((S)-5-imino-4-methylenepyrrolidine-2-carboxamido)-3-methylbutanoic aShow More⌵

Mol. Formula:
C11H17N3O3

M.W.:
239.28

2 activity values