Compounds

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4101397

Name:
3-((1S,4S,7S,10S,16S,19S,22S,28R)-4-(2-amino-2-oxoethyl)-19-benzyl-28-carbaShow More⌵

Mol. Formula:
C49H64N12O17S

M.W.:
1125.18

7 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4097006

Name:
3-((1S,4S,7S,10S,16S,19S,22S,28R)-4-(2-amino-2-oxoethyl)-19-benzyl-28-((6S,Show More⌵

Mol. Formula:
C153H230N46O36S2

M.W.:
3353.94

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4095044

Name:
NA

Mol. Formula:
C67H80N14O19S

M.W.:
1417.52

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4093671

Name:
3-((1S,4S,7S,10S,16S,19S,22S,28R)-4-(2-amino-2-oxoethyl)-19-benzyl-28-carbaShow More⌵

Mol. Formula:
C51H66N12O18S

M.W.:
1167.22

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4083407

Name:
NA

Mol. Formula:
C49H62N14O17S

M.W.:
1151.18

7 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4080431

Name:
4-(((1S,4S,7S,10S,16S,19S,22S,28R)-4-(2-amino-2-oxoethyl)-19-benzyl-28-((6SShow More⌵

Mol. Formula:
C154H230N46O37S2

M.W.:
3381.95

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4078046

Name:
3-((1S,4R,7S,10S,16R,19S,22S,28R,Z)-4-(2-amino-2-oxoethyl)-19-benzyl-28-carShow More⌵

Mol. Formula:
C48H61N11O18S

M.W.:
1112.14

1 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4072970

Name:
3-((1S,4S,7S,10S,16S,19S,22S,28R)-4-(2-amino-2-oxoethyl)-19-benzyl-28-carbaShow More⌵

Mol. Formula:
C49H64N12O17S

M.W.:
1125.18

7 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4069734

Name:
NA

Mol. Formula:
C172H246N48O39S2

M.W.:
3674.29

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4069253

Name:
4-(((1S,4S,7S,10S,16S,19S,22S,28R)-4-(2-amino-2-oxoethyl)-19-benzyl-28-carbShow More⌵

Mol. Formula:
C50H64N12O18S

M.W.:
1153.19

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3623450

Name:
4-(((3R,9S,12S,15S,21S,24S,27S,30S,33S,38aS)-9-((1H-indol-2-yl)methyl)-27-(Show More⌵

Mol. Formula:
C68H80N14O20S

M.W.:
1445.53

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3623449

Name:
3-((3R,9S,12S,15S,21S,24S,27S,30S,33S,38aS)-9-((1H-indol-2-yl)methyl)-27-(2Show More⌵

Mol. Formula:
C69H82N14O20S

M.W.:
1459.56

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3623448

Name:
3-((3R,9S,12S,15S,21S,24S,27S,30S,33S,38aS)-9-((1H-indol-2-yl)methyl)-27-(2Show More⌵

Mol. Formula:
C67H80N14O19S

M.W.:
1417.52

8 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1642698

Name:
G7-18NATE

Mol. Formula:
C67H79N13O20S

M.W.:
1418.51

2 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1642697

Name:
methyl 5-(2-cyano-5-nitrophenylamino)-3-(3-hydroxyquinoxalin-2-yl)-2,4,5-trShow More⌵

Mol. Formula:
C21H13N5O8

M.W.:
463.36

55 activity values

54 unique targets

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
202.48

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1642696

Name:
methyl 5-(3-acetylphenylamino)-3-(3-hydroxy-6-nitroquinoxalin-2-yl)-2,4,5-tShow More⌵

Mol. Formula:
C22H16N4O9

M.W.:
480.39

60 activity values

59 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
195.76

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1642695

Name:
methyl 5-(4-carbamoylphenylamino)-3-(3-hydroxy-6-nitroquinoxalin-2-yl)-2,4,Show More⌵

Mol. Formula:
C21H15N5O9

M.W.:
481.38

2 activity values