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ALA3037859 Name:
6-{6,7-di(benzyloxy)-8-[2-(1H-3-indolyl)ethyl]-3,8
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Mol. Formula:
C36H46N4O2
M.W.:
566.79
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
66.75
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA2448343 Name:
Somatostatin Analogue
Mol. Formula:
C67H94CuN14O18S2+2
M.W.:
1511.25
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2448340 Name:
Somatostatin Analogue
Mol. Formula:
C67H94CuN14O19S2+2
M.W.:
1527.25
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2373063 Name:
FITC-G-S-G-dF-c(C-Y-dW-K-T-C)-T-OH
Mol. Formula:
C77H86N14O21S3
M.W.:
1639.81
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1790092 Name:
Somatostatin Analogue
Mol. Formula:
C67H96CuN14O17S2+4
M.W.:
1497.27
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1790075 Name:
Somatostatin Analogue
Mol. Formula:
C67H96CuN14O18S2+4
M.W.:
1513.27
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA374316 Name:
cyclo-[F.(N-Me)Hcy.YwKV]
Mol. Formula:
C45H58N8O7S
M.W.:
855.07
Type:
Protein
AlogP:
2.27
Polar Surface Area:
227.85
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA373632 Name:
cyclo-[L-phenylalanyl-N-methyl-L-homocysteinyl-L-t
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Mol. Formula:
C44H56N8O8S
M.W.:
857.05
Type:
Protein
AlogP:
1.00
Polar Surface Area:
248.08
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA434761 Name:
cyclo-[(N-Me)F.Hcy.YwKT]
Mol. Formula:
C44H56N8O8S
M.W.:
857.05
Type:
Protein
AlogP:
1.00
Polar Surface Area:
248.08
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA222751 Name:
cyclo-[Hcy.(N-Me)F.YwKT]
Mol. Formula:
C44H56N8O8S
M.W.:
857.05
Type:
Protein
AlogP:
1.00
Polar Surface Area:
248.08
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA376001 Name:
cyclo-[Hcy.(N-Me)F.YwKV]
Mol. Formula:
C45H58N8O7S
M.W.:
855.07
Type:
Protein
AlogP:
2.27
Polar Surface Area:
227.85
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA415495 Name:
Somatostatin receptor ligand
Mol. Formula:
C76H104N18O19S2
M.W.:
1637.91
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA330352 Name:
1-(5-Amino-pentyl)-4-benzoyl-3-(1H-indol-3-yl)-1,3
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Mol. Formula:
C30H32N4O2
M.W.:
480.61
Type:
Small molecule
AlogP:
4.90
Polar Surface Area:
82.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA405336 Name:
alpha-FITC-epsilon-DTPA-K-dF-c(C-Y-dW-K-T-C)-T-OH
Mol. Formula:
C90H108N16O27S3
M.W.:
1942.14
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA414807 Name:
alpha-DOTA-epsilon-FITC-K-dF-c(C-Y-W-K-T-C)-T-OH
Mol. Formula:
C92H113N17O25S3
M.W.:
1953.21
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA263620 Name:
2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio
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Mol. Formula:
C49H64N10O12S2
M.W.:
1049.24
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA264326 Name:
Carbocyanine derivative
Mol. Formula:
C93H109N14O16S2+
M.W.:
1743.11
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA414972 Name:
Carbocyanine derivative
Mol. Formula:
C90H104N13O15S2+
M.W.:
1672.03
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA412105 Name:
Carbocyanine derivative
Mol. Formula:
C96H116N13O15S2+
M.W.:
1756.19
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA265525 Name:
10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla
Show More⌵
Mol. Formula:
C49H66N10O11S2
M.W.:
1035.26
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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