Compounds

Exendin Fragment 9-39

Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S)-3-amino-48-(Show More⌵

Mol. Formula:
C149H234N40O47S

M.W.:
3369.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158500

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis((4-(2-hydroxy)acetamido)-benzamido)-2,4-bShow More⌵

Mol. Formula:
C48H40N4O16S2

M.W.:
992.99

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
302.52

HBA:
16

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2158499

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(2-amino)propanamidobenzamido)-2,4-bis(Show More⌵

Mol. Formula:
C50H46N6O14S2

M.W.:
1019.08

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158498

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(2-tert-butoxyamido)-propanamidobenzamiShow More⌵

Mol. Formula:
C60H62N6O18S2

M.W.:
1219.31

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158497

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(3-(2-ethoxy-2-oxoethyl)ureido)benzamidShow More⌵

Mol. Formula:
C54H50N6O18S2

M.W.:
1135.15

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158496

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(3-m-fluorophenyl)-ureidobenzamido)-2,4Show More⌵

Mol. Formula:
C58H44F2N6O14S2

M.W.:
1151.15

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158495

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(3-naphthalen-1-yl)-thioureidobenzamidoShow More⌵

Mol. Formula:
C66H50N6O12S4

M.W.:
1247.42

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158494

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(3-methyl)-thioureidobenzamido)-2,4-bisShow More⌵

Mol. Formula:
C48H42N6O12S4

M.W.:
1023.16

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158493

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(phenylacetamido)benzamido)-2,4-bis(3-mShow More⌵

Mol. Formula:
C60H48N4O14S2

M.W.:
1113.19

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158492

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(2-chloroacetamido)-benzamido)-2,4-bis(Show More⌵

Mol. Formula:
C48H38Cl2N4O14S2

M.W.:
1029.89

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158491

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-(2-benzyloxy)-acetamidobenzamido)-2,4-bShow More⌵

Mol. Formula:
C62H52N4O16S2

M.W.:
1173.24

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158490

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis((4-((1-adamantane)carbonyl)-amino)benzamiShow More⌵

Mol. Formula:
C66H64N4O14S2

M.W.:
1201.39

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158489

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-pivalamidobenzamido)-2,4-bis-(3-methoxyShow More⌵

Mol. Formula:
C54H52N4O14S2

M.W.:
1045.16

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158488

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-isobutyramidobenzamido)-2,4-bis(3-methoShow More⌵

Mol. Formula:
C52H48N4O14S2

M.W.:
1017.10

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158487

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-butyramidobenzamido)-2,4-bis-(3-methoxyShow More⌵

Mol. Formula:
C52H48N4O14S2

M.W.:
1017.10

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158423

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-propionamidobenzamido)-2,4-bis(3-methoxShow More⌵

Mol. Formula:
C50H44N4O14S2

M.W.:
989.05

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.35

Polar Surface Area:
262.06

HBA:
14

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2158422

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(4-acetamidobenzamido)-2,4-bis(3-methoxy-4Show More⌵

Mol. Formula:
C48H40N4O14S2

M.W.:
961.00

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.57

Polar Surface Area:
262.06

HBA:
14

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2158421

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis((4-(cyclohexanecarbonyl)amino)-benzamido)Show More⌵

Mol. Formula:
C58H56N4O14S2

M.W.:
1097.23

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158420

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis((4-(cyclobutanecarbonyl)amino)-benzamido)Show More⌵

Mol. Formula:
C54H48N4O14S2

M.W.:
1041.13

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2158419

Name:
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis((4-(cyclopropanecarbonyl)amino)-benzamidoShow More⌵

Mol. Formula:
C52H44N4O14S2

M.W.:
1013.07

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS