Compounds

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3142331

Name:
13-Benzyl-7-carbamoylmethyl-20,20-dicyclopentyl-16
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Mol. Formula:
C51H75N11O9S2

M.W.:
1050.36

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3142329

Name:
13-Benzyl-7-carbamoylmethyl-20,20-dicyclopentyl-16
Show More⌵

Mol. Formula:
C57H87N15O10S2

M.W.:
1206.55

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3142318

Name:
13-Benzyl-7-carbamoylmethyl-20,20-dicyclopentyl-16
Show More⌵

Mol. Formula:
C57H87N15O10S2

M.W.:
1206.55

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3142313

Name:
2-(2-{[13-Benzyl-7-carbamoylmethyl-20,20-dicyclope
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Mol. Formula:
C57H86N14O11S2

M.W.:
1207.54

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3142312

Name:
13-Benzyl-7-carbamoylmethyl-20,20-dicyclopentyl-16
Show More⌵

Mol. Formula:
C57H87N15O10S2

M.W.:
1206.55

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3037878

Name:
1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzy
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Mol. Formula:
C52H76N10O10S2

M.W.:
1065.37

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2372272

Name:
13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzyl)-
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Mol. Formula:
C48H71N11O9

M.W.:
946.16

Type:
Small molecule

AlogP:
0.37

Polar Surface Area:
334.41

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2371680

Name:
13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-
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Mol. Formula:
C46H69N9O8S2

M.W.:
940.25

2 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
278.96

HBA:
12

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2371442

Name:
1-(2,5-Dibenzyl-11-carbamoylmethyl-8-isopropyl-3,6
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Mol. Formula:
C46H65N13O10

M.W.:
960.11

Type:
Protein

AlogP:
-3.26

Polar Surface Area:
374.59

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2371441

Name:
1-(2,5-Dibenzyl-11-carbamoylmethyl-8-isopropyl-3,6
Show More⌵

Mol. Formula:
C46H65N13O10

M.W.:
960.11

Type:
Protein

AlogP:
-3.26

Polar Surface Area:
374.59

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2371440

Name:
1-(13,16-Dibenzyl-7-carbamoylmethyl-10-isopropyl-6
Show More⌵

Mol. Formula:
C46H65N13O10S2

M.W.:
1024.24

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2371439

Name:
1-(13,16-Dibenzyl-7-carbamoylmethyl-20-cyclopentyl
Show More⌵

Mol. Formula:
C51H73N13O10S2

M.W.:
1092.36

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370646

Name:
1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzy
Show More⌵

Mol. Formula:
C52H76N12O10S2

M.W.:
1093.39

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370642

Name:
1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzy
Show More⌵

Mol. Formula:
C48H69N9O9S2

M.W.:
980.27

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
273.25

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2370641

Name:
1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzy
Show More⌵

Mol. Formula:
C50H73N9O9S2

M.W.:
1008.32

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2370640

Name:
1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzy
Show More⌵

Mol. Formula:
C54H79N13O11S2

M.W.:
1150.44

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2369778

Name:
13-Benzyl-7-carbamoylmethyl-20,20-dicyclopentyl-16
Show More⌵

Mol. Formula:
C57H87N13O10S2

M.W.:
1178.54

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2369777

Name:
13-Benzyl-7-carbamoylmethyl-20,20-dicyclopentyl-16
Show More⌵

Mol. Formula:
C57H87N13O10S2

M.W.:
1178.54

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2369774

Name:
13-Benzyl-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-
Show More⌵

Mol. Formula:
C45H67N15O10S2

M.W.:
1042.26

1 activity values