Compounds

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
72.69

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4789938

Name:
(R)-2-((R)-2-((S)-2-((S)-2-acetamido-5-guanidinope
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Mol. Formula:
C32H41ClN8O7

M.W.:
685.18

Type:
Unknown

AlogP:
-0.08

Polar Surface Area:
249.90

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4785727

Name:
(R)-2-((R)-2-((S)-2-((S)-2-acetamido-5-guanidinope
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Mol. Formula:
C32H41IN8O7

M.W.:
776.63

Type:
Unknown

AlogP:
-0.13

Polar Surface Area:
249.90

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4093505

Name:
c[Pro-Arg-Phe-Phe-Asn-Lys-Phe-DPro]

Mol. Formula:
C53H71N13O9

M.W.:
1034.23

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4089149

Name:
c[Pro-Arg-Phe-Phe-Phe-Ala-Phe-DPro]

Mol. Formula:
C55H67N11O8

M.W.:
1010.21

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4563411

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetami
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Mol. Formula:
C75H106N20O18S

M.W.:
1607.86

3 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4066514

Name:
c[Pro-Arg-Phe-Phe-Asn-Gly-Phe-DPro]

Mol. Formula:
C49H62N12O9

M.W.:
963.11

Type:
Small molecule

AlogP:
-1.61

Polar Surface Area:
320.21

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4065443

Name:
c[Pro-Arg-Phe-Phe-Asn-Ala-Ala-DPro]

Mol. Formula:
C44H60N12O9

M.W.:
901.04

Type:
Small molecule

AlogP:
-2.45

Polar Surface Area:
320.21

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4168324

Name:
(S)-2-((4R,7S,10S,13S,16S,19S,22S,25R)-13-(2-amino
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Mol. Formula:
C64H78N14O14S2

M.W.:
1331.55

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4096856

Name:
c[Pro-Arg-Phe-Phe-Asn-Asp-Phe-DPro]

Mol. Formula:
C51H64N12O11

M.W.:
1021.15

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4095539

Name:
c[Pro-Arg-Phe-Phe-Asn-Phe-Phe-DPro]

Mol. Formula:
C56H68N12O9

M.W.:
1053.23

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4072797

Name:
c[Pro-Arg-Phe-Phe-Asn-His-Phe-DPro]

Mol. Formula:
C53H66N14O9

M.W.:
1043.20

7 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4078828

Name:
c[Pro-Arg-Phe-Phe-Asn-Glu-Phe-DPro]

Mol. Formula:
C52H66N12O11

M.W.:
1035.17

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4075125

Name:
c[Pro-Arg-Phe-Phe-Asn-Ser-Phe-DPro]

Mol. Formula:
C50H64N12O10

M.W.:
993.14

Type:
Small molecule

AlogP:
-2.25

Polar Surface Area:
340.44

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4060087

Name:
c[Cys-Arg-Phe-Phe-Gly-Ser-Ala-Cys]

Mol. Formula:
C38H53N11O9S2

M.W.:
872.04

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.87

Polar Surface Area:
314.93

HBA:
12

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3629476

Name:
(4S)-4-acetamido-5-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[
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Mol. Formula:
C74H119N19O20

M.W.:
1594.88

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA287895

Name:
2-[2-(2,5-Dichloro-thiophen-3-ylmethylsulfanyl)-ph
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Mol. Formula:
C15H14Cl2N2S2

M.W.:
357.33

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
24.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA416244

Name:
2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,
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Mol. Formula:
C18H19BrN2OS

M.W.:
391.33

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
33.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA289532

Name:
2-[2-(2,6-Difluoro-benzylsulfanyl)-phenyl]-1,4,5,6
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Mol. Formula:
C17H16F2N2S

M.W.:
318.39

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
24.39

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA40233

Name:
2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-
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Mol. Formula:
C19H21BrN2O

M.W.:
373.29