Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2369388

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
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Mol. Formula:
C46H68N12O8

M.W.:
917.13

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
286.08

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2369387

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
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Mol. Formula:
C43H62N12O8

M.W.:
875.04

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
286.08

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2369385

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
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Mol. Formula:
C42H60N12O8

M.W.:
861.02

Type:
Small molecule

AlogP:
0.06

Polar Surface Area:
286.08

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2369384

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
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Mol. Formula:
C44H64N12O8

M.W.:
889.07

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
286.08

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2369377

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
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Mol. Formula:
C44H64N12O7

M.W.:
873.07

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
276.85

HBA:
9

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2369376

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
Show More⌵

Mol. Formula:
C44H64N12O8

M.W.:
889.07

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
286.08

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2369375

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
Show More⌵

Mol. Formula:
C44H64N12O8

M.W.:
889.07

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
286.08

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2369372

Name:
2-[2-[2-(2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-y
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Cas Number:
122000-99-1

Mol. Formula:
C43H60N12O9

M.W.:
889.03

Type:
Protein

AlogP:
-0.03

Polar Surface Area:
303.15

HBA:
11

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2369363

Name:
2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio
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Mol. Formula:
C41H58N12O8

M.W.:
846.99

Type:
Small molecule

AlogP:
-0.60

Polar Surface Area:
297.08

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2112786

Name:
CH3(Ph)CHCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)
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Mol. Formula:
C58H74N14O8

M.W.:
1095.32

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2112785

Name:
CH3(Ph)CH(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe
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Mol. Formula:
C57H72N14O8

M.W.:
1081.29

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2111954

Name:
PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-Pro(CH(OH)CH2
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Mol. Formula:
C59H74N14O10

M.W.:
1139.33

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2111953

Name:
CH3(Ph)CH(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe
Show More⌵

Mol. Formula:
C57H72N14O8

M.W.:
1081.29

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2111952

Name:
CH3(Ph)CHCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)
Show More⌵

Mol. Formula:
C58H74N14O8

M.W.:
1095.32

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA144197

Name:
(S)-2-Amino-pentanedioic acid 5-amide 1-{[(S)-1-{(
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Mol. Formula:
C38H56N12O8

M.W.:
808.94

2 unique targets

Type:
Protein

AlogP:
-1.98

Polar Surface Area:
331.27

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA262756

Name:
PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-
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Mol. Formula:
C57H72N14O8

M.W.:
1081.29

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA409598

Name:
(CH3)2PhC(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe
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Mol. Formula:
C58H74N14O8

M.W.:
1095.32

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA439069

Name:
PhCH2CH2(CO)His-Trp-Ala-Val-DAla-ThiAla-DPro(psi)N
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Mol. Formula:
C55H74N12O8S

M.W.:
1063.34

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA267943

Name:
PhCH2CH2(CO)ThiAla-Trp-Ala-Val-DAla-His-DPro(psi)P
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Mol. Formula:
C58H72N12O8S

M.W.:
1097.36