Compounds

ALA3037859

Name:
6-{6,7-di(benzyloxy)-8-[2-(1H-3-indolyl)ethyl]-3,8-diazabicyclo[3.2.1]oct-3Show More⌵

Mol. Formula:
C36H46N4O2

M.W.:
566.79

1 activity values

1 unique targets

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

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

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

ALA2373063

Name:
FITC-G-S-G-dF-c(C-Y-dW-K-T-C)-T-OH

Mol. Formula:
C77H86N14O21S3

M.W.:
1639.81

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

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

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

ALA374316

Name:
cyclo-[F.(N-Me)Hcy.YwKV]

Mol. Formula:
C45H58N8O7S

M.W.:
855.07

1 activity values

1 unique targets

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

ALA373632

Name:
cyclo-[L-phenylalanyl-N-methyl-L-homocysteinyl-L-tyrosinyl-D-tryptophanyl-LShow More⌵

Mol. Formula:
C44H56N8O8S

M.W.:
857.05

1 activity values

1 unique targets

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

ALA434761

Name:
cyclo-[(N-Me)F.Hcy.YwKT]

Mol. Formula:
C44H56N8O8S

M.W.:
857.05

1 activity values

1 unique targets

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

ALA222751

Name:
cyclo-[Hcy.(N-Me)F.YwKT]

Mol. Formula:
C44H56N8O8S

M.W.:
857.05

1 activity values

1 unique targets

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

ALA376001

Name:
cyclo-[Hcy.(N-Me)F.YwKV]

Mol. Formula:
C45H58N8O7S

M.W.:
855.07

1 activity values

1 unique targets

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

ALA415495

Name:
Somatostatin receptor ligand

Mol. Formula:
C76H104N18O19S2

M.W.:
1637.91

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA330352

Name:
1-(5-Amino-pentyl)-4-benzoyl-3-(1H-indol-3-yl)-1,3,4,5-tetrahydro-benzo[e][Show More⌵

Mol. Formula:
C30H32N4O2

M.W.:
480.61

6 activity values

1 unique targets

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

ALA405336

Name:
alpha-FITC-epsilon-DTPA-K-dF-c(C-Y-dW-K-T-C)-T-OH

Mol. Formula:
C90H108N16O27S3

M.W.:
1942.14

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

ALA414807

Name:
alpha-DOTA-epsilon-FITC-K-dF-c(C-Y-W-K-T-C)-T-OH

Mol. Formula:
C92H113N17O25S3

M.W.:
1953.21

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

ALA263620

Name:
2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-(4-hydroxy-bShow More⌵

Mol. Formula:
C49H64N10O12S2

M.W.:
1049.24

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA264326

Name:
Carbocyanine derivative

Mol. Formula:
C93H109N14O16S2+

M.W.:
1743.11

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

ALA414972

Name:
Carbocyanine derivative

Mol. Formula:
C90H104N13O15S2+

M.W.:
1672.03

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

ALA412105

Name:
Carbocyanine derivative

Mol. Formula:
C96H116N13O15S2+

M.W.:
1756.19

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

ALA265525

Name:
10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-(4-hydroxy-benzyShow More⌵

Mol. Formula:
C49H66N10O11S2

M.W.:
1035.26

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