Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5193525

Name:
(4S,7S,10S,13R,16S,19R,22S)-22-[(2S)-5-carbamimidamido-2-acetamidopentanamiShow More⌵

Mol. Formula:
C53H70N18O9S2

M.W.:
1167.39

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5188487

Name:
setmelanotide

Mol. Formula:
C49H68N18O9S2

M.W.:
1117.33

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5186782

Name:
(3R,6S,9S,12S,20S,25aS)-20-[(2S)-2-aminohexanamido]-6-(3-carbamimidamidoproShow More⌵

Mol. Formula:
C52H71N13O8

M.W.:
1006.22

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5181165

Name:
(3S)-3-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(Show More⌵

Mol. Formula:
C79H103N21O16

M.W.:
1602.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5172272

Name:
(3R,6S,9S,12S,20S,25aS)-20-[(2S)-2-aminohexanamido]-3-benzyl-6-(3-carbamimiShow More⌵

Mol. Formula:
C48H69N13O8

M.W.:
956.16

Type:
---

AlogP:
-0.33

Polar Surface Area:
332.92

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4800268

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-15-((S)-2-acetamidohexShow More⌵

Mol. Formula:
C54H70ClN15O9

M.W.:
1108.70

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4799891

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methShow More⌵

Mol. Formula:
C55H73N15O9

M.W.:
1088.29

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4799036

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methShow More⌵

Mol. Formula:
C57H69N15O9

M.W.:
1108.27

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4798971

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-15-((S)-2-acetamidohexShow More⌵

Mol. Formula:
C54H70FN15O9

M.W.:
1092.25

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4797266

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methShow More⌵

Mol. Formula:
C57H75N15O9

M.W.:
1114.32

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4796506

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methShow More⌵

Mol. Formula:
C58H71N15O9

M.W.:
1122.30

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4795842

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methShow More⌵

Mol. Formula:
C60H75N15O9

M.W.:
1150.36

13 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4794990

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-15-((S)-2-acetamidohexShow More⌵

Mol. Formula:
C54H70FN15O9

M.W.:
1092.25

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4794168

Name:
(6S,9S,12S,15R,18S,21S)-18-((1H-imidazol-5-yl)methyl)-9-((1H-indol-3-yl)metShow More⌵

Mol. Formula:
C55H71N17O8

M.W.:
1098.28

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4794121

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-15-((S)-2-acetamidohexShow More⌵

Mol. Formula:
C54H70ClN15O9

M.W.:
1108.70

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4793821

Name:
(5S,8S,11R,14S,17S,20S)-8-((1H-imidazol-5-yl)methyl)-17-((1H-indol-3-yl)metShow More⌵

Mol. Formula:
C55H71N17O8

M.W.:
1098.28

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4793346

Name:
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methShow More⌵

Mol. Formula:
C53H70N16O9

M.W.:
1075.25