Compounds

ALA5282589

Name:
(2S)-2-[(4R)-4-[[(2S)-2-acetamido-3-phenyl-propano
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Mol. Formula:
C33H43N7O6

M.W.:
633.75

Type:
---

AlogP:
0.13

Polar Surface Area:
212.74

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5281747

Name:
(2S)-2-[(4R)-4-[[(2S)-2-acetamido-3-phenyl-propano
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Mol. Formula:
C34H45N7O6

M.W.:
647.78

Type:
---

AlogP:
0.52

Polar Surface Area:
212.74

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5290539

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propan
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Mol. Formula:
C32H43N7O6

M.W.:
621.74

Type:
---

AlogP:
-0.09

Polar Surface Area:
221.53

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4649897

Name:
cyclo(7-12) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,D-hh
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Mol. Formula:
C83H110N16O17S2

M.W.:
1668.02

5 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4649895

Name:
cyclo(7-12) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,Dab(
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Mol. Formula:
C83H109N17O18S2

M.W.:
1697.02

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4217405

Name:
N-[(1R,2S)-1-({[5-[(Dimethylamino)methyl]-2-(trifl
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Mol. Formula:
C34H36F4N6O4

M.W.:
668.69

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
110.01

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4216556

Name:
5-(3-(4-((R)-1-((7S,10S,13S,16S,19R,22S,25R)-16,19
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Mol. Formula:
C91H97N15O16S3

M.W.:
1753.07

14 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4211582

Name:
5-(3-(4-((R)-1-((S)-1-((7S,10S,13S,16R,19S,22R)-16
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Mol. Formula:
C86H99N17O16S3

M.W.:
1723.04

10 activity values

7 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647702

Name:
US8952128, 27

Mol. Formula:
C90H115FN18O12

M.W.:
1660.02

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647701

Name:
US8952128, 26

Mol. Formula:
C78H102N16O9S

M.W.:
1439.84

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647700

Name:
US8952128, 25

Mol. Formula:
C77H99N17O11S

M.W.:
1470.81

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647689

Name:
US8952128, 13

Mol. Formula:
C87H110FN17O12S

M.W.:
1637.01

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647688

Name:
US8952128, 12::US8952128, 46

Mol. Formula:
C77H101N17O11S

M.W.:
1472.83

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647678

Name:
US8952128, 6

Mol. Formula:
C78H101FN16O9S

M.W.:
1457.83

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3647677

Name:
US8952128, 5

Mol. Formula:
C87H110FN17O11S

M.W.:
1621.01

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3421843

Name:
(1R,5S,6r)-N-(2-(1-methyl-1H-indazol-3-yl)propan-2
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Mol. Formula:
C17H22N4O

M.W.:
298.39

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3421842

Name:
(1R,5S,6r)-N-(2-(3-methylisoquinolin-1-yl)propan-2
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Mol. Formula:
C19H23N3O

M.W.:
309.41

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3351090

Name:
H-DNal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-DNal-NH2

Mol. Formula:
C63H73N11O9S2

M.W.:
1192.48

6 activity values

6 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3351044

Name:
Peptide analogue

Mol. Formula:
C55H68N12O12S2

M.W.:
1153.35

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3350913

Name:
(S)-25-Amino-13-(4-amino-butyl)-22-benzyl-10-((R)-
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Mol. Formula:
C42H58N10O10S2

M.W.:
927.12

7 activity values

5 unique targets

Type:
Protein

AlogP:
-1.30

Polar Surface Area:
329.06

HBA:
13

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.08

DETAILS