Compounds

ALA5088383

Name:
methyl 2-(4-((10R,14S,18S)-18-(2-amino-2-oxoethyl)-14-(naphthalen-1-ylmethyShow More⌵

Mol. Formula:
C39H46N4O6

M.W.:
666.82

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
156.69

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5074481

Name:
2-(4-((10R,14S,18S)-18-(2-amino-2-oxoethyl)-14-(naphthalen-1-ylmethyl)-8,17Show More⌵

Mol. Formula:
C38H44N4O6

M.W.:
652.79

5 activity values

2 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
167.69

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4791483

Name:
4-((S)-3-(1-((S)-1-(3-(1H-indol-3-yl)propylamino)-4-amino-1,4-dioxobutan-2-Show More⌵

Mol. Formula:
C33H43N6O9P

M.W.:
698.71

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
242.04

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4790703

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1,4-dioxo-1-(3-phenylpropylamino)butanShow More⌵

Mol. Formula:
C31H42N5O9P

M.W.:
659.68

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.13

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4787845

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(4-methylpentylamino)-1,4-dioxobutanShow More⌵

Mol. Formula:
C28H44N5O9P

M.W.:
625.66

4 activity values

1 unique targets

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4781654

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(3-(4-methoxyphenyl)propylamino)-1,4Show More⌵

Mol. Formula:
C32H44N5O10P

M.W.:
689.70

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
235.48

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4781247

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(3-cyclohexylpropylamino)-1,4-dioxobShow More⌵

Mol. Formula:
C31H48N5O9P

M.W.:
665.72

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4776803

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-((1-methyl-1H-indol-3-yl)methylaminoShow More⌵

Mol. Formula:
C32H41N6O9P

M.W.:
684.69

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.19

Polar Surface Area:
231.18

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4776802

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1,4-dioxo-1-(phenethylamino)butan-2-ylShow More⌵

Mol. Formula:
C30H40N5O9P

M.W.:
645.65

4 activity values

1 unique targets

Type:
Unknown

AlogP:
0.74

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4776285

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(3-(1-methyl-1H-indol-3-yl)propylamiShow More⌵

Mol. Formula:
C34H45N6O9P

M.W.:
712.74

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
231.18

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4763155

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(2-(1-methyl-1H-indol-3-yl)ethylaminShow More⌵

Mol. Formula:
C33H43N6O9P

M.W.:
698.71

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.24

Polar Surface Area:
231.18

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4762345

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(3-(4-chlorophenyl)propylamino)-1,4-Show More⌵

Mol. Formula:
C31H41ClN5O9P

M.W.:
694.12

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4760338

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1,4-dioxo-1-(4-phenylbutylamino)butan-Show More⌵

Mol. Formula:
C32H44N5O9P

M.W.:
673.70

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4751147

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1,4-dioxo-1-(3-p-tolylpropylamino)butaShow More⌵

Mol. Formula:
C32H44N5O9P

M.W.:
673.70

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4749402

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(5-methylhexylamino)-1,4-dioxobutan-Show More⌵

Mol. Formula:
C29H46N5O9P

M.W.:
639.69

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4748676

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1-(benzylamino)-1,4-dioxobutan-2-ylcarShow More⌵

Mol. Formula:
C29H38N5O9P

M.W.:
631.62

4 activity values

1 unique targets

Type:
Unknown

AlogP:
0.70

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4745128

Name:
4-((S)-3-(1-((S)-1-(3-(1H-indol-1-yl)propylamino)-4-amino-1,4-dioxobutan-2-Show More⌵

Mol. Formula:
C33H43N6O9P

M.W.:
698.71

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
231.18

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4744060

Name:
4-((S)-2-acetamido-3-(1-((S)-4-amino-1,4-dioxo-1-(5-phenylpentylamino)butanShow More⌵

Mol. Formula:
C33H46N5O9P

M.W.:
687.73

4 activity values

1 unique targets

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
226.25

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3706611

Name:
{4-[3-Carbamoylmethyl-14-(2,3-dihydro-naphthalen-1-ylmethyl)-6,6-dimethyl-2Show More⌵

Mol. Formula:
C75H100N16O15S

M.W.:
1497.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3436353

Name:
N1-(4-aminocyclohexyl)cyclohexane-1,4-diamine di hydrochloride

Mol. Formula:
C12H27Cl2N3

M.W.:
284.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
64.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS