Compounds

Type:
Protein

AlogP:
4.59

Polar Surface Area:
225.05

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2419542

Name:
(S)-2-{(S)-2-[(S)-2-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamShow More⌵

Mol. Formula:
C49H53F6N7O8

M.W.:
981.99

Type:
Protein

AlogP:
5.13

Polar Surface Area:
233.84

HBA:
9

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2419541

Name:
(S)-2-{(S)-2-[(S)-2-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamShow More⌵

Mol. Formula:
C48H51F6N7O8S

M.W.:
1000.03

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2419540

Name:
(S)-3,5-bis(trifluoromethyl)benzyl 2-((S)-2-((R)-1-((2S,5S,11R,14S)-14-aminShow More⌵

Mol. Formula:
C59H69F6N9O10S

M.W.:
1210.31

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2419539

Name:
(2S,5S,11S,14S,20R,23S)-3,5-bis(trifluoromethyl)benzyl 2-((1H-indol-3-yl)meShow More⌵

Mol. Formula:
C58H69F6N9O10S

M.W.:
1198.30

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2419538

Name:
(S)-3,5-bis(trifluoromethyl)benzyl 2-((S)-2-(1-((2S,5S,11R,14S)-14-amino-5-Show More⌵

Mol. Formula:
C60H71F6N9O10S

M.W.:
1224.34

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2419537

Name:
(2S,5S,8S,11S,14S,20R,23S)-3,5-bis(trifluoromethyl)benzyl 2-((1H-indol-3-ylShow More⌵

Mol. Formula:
C57H67F6N9O10S

M.W.:
1184.27

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2372954

Name:
2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionylamino]-3-phenyl-propionShow More⌵

Mol. Formula:
C41H52N8O6

M.W.:
752.92

4 activity values

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
230.40

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2372953

Name:
1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionylamino]-3-phenyl-propionyl}Show More⌵

Mol. Formula:
C38H55N7O6S

M.W.:
737.97

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
205.82

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2372949

Name:
2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionylamino]-3-phenyl-propionShow More⌵

Mol. Formula:
C36H53N7O6S

M.W.:
711.93

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
214.61

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2371799

Name:
4-Amino-4-[1-(1-benzyl-2-{2-[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyShow More⌵

Mol. Formula:
C39H55N7O8S

M.W.:
781.98

8 activity values

5 unique targets

Type:
Protein

AlogP:
0.88

Polar Surface Area:
243.12

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2370435

Name:
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sarcosine-Leu-Met(O2)-amine

Mol. Formula:
C64H100N18O15S

M.W.:
1393.68

3 activity values

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370200

Name:
N-alpha-Z-Arg-Pro-N-Epsolon-Z-Lys-Pro-Gln-Gln-D-Trp-D-Trp-Gly-Leu-D-Met-OMe

Mol. Formula:
C84H113N19O18S

M.W.:
1709.01

27 activity values

4 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370072

Name:
(1-{1-[1-(1-Benzyl-2-{2-[2-(1-carbamoyl-pentylcarbamoyl)-pyrrolidine-1-carbShow More⌵

Mol. Formula:
C50H72N12O9

M.W.:
985.20

Type:
Protein

AlogP:
1.52

Polar Surface Area:
318.63

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2370071

Name:
4-{1-[1-(1-Benzyl-2-{2-[2-(1-carbamoyl-pentylcarbamoyl)-pyrrolidine-1-carboShow More⌵

Mol. Formula:
C56H73N9O11

M.W.:
1048.25

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370069

Name:
[1-{1-[1-(1-Benzyl-2-{2-[2-(1-carbamoyl-pentylcarbamoyl)-pyrrolidine-1-carbShow More⌵

Mol. Formula:
C50H71N13O11

M.W.:
1030.20

3 activity values

3 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370068

Name:
4-{1-[1-(1-Benzyl-2-{2-[2-(1-carbamoyl-pentylcarbamoyl)-pyrrolidine-1-carboShow More⌵

Mol. Formula:
C56H73N9O11

M.W.:
1048.25