Compounds

ALA5270035

Name:

Mol. Formula:
C21H16FN5O6

M.W.:
453.39

Type:
---

AlogP:
1.70

Polar Surface Area:
151.21

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4293265

Name:
N-(2-Furoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydroxy-4-meShow More⌵

Mol. Formula:
C24H24N2O8

M.W.:
468.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
119.70

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4292206

Name:
N-(4-Fluorobenzoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydroShow More⌵

Mol. Formula:
C26H25FN2O7

M.W.:
496.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
106.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4291840

Name:
N-(2-Naphthoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydroxy-4Show More⌵

Mol. Formula:
C30H28N2O7

M.W.:
528.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
106.56

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4289882

Name:
N-(Indolo-3-acetyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydroShow More⌵

Mol. Formula:
C29H29N3O7

M.W.:
531.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
122.35

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4288793

Name:
N-(3,4,5-Trimethoxybenzoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-Show More⌵

Mol. Formula:
C29H32N2O10

M.W.:
568.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
134.25

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4282006

Name:
N-(Cyclohexanoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydroxyShow More⌵

Mol. Formula:
C26H32N2O7

M.W.:
484.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
106.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4281583

Name:
N-(4-Chlorobenzoil)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydroShow More⌵

Mol. Formula:
C26H25ClN2O7

M.W.:
512.95

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
106.56

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4278540

Name:
N-(S-2-amino-propanoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hShow More⌵

Mol. Formula:
C22H27N3O7

M.W.:
445.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
132.58

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4278129

Name:
N-(4-Methoxybenzoyl)-3,4-trans-3-amino-1-(3,4,5-trimethoxyphenyl)-4-(3-hydrShow More⌵

Mol. Formula:
C27H28N2O8

M.W.:
508.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
115.79

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA481122

Name:
N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide diShow More⌵

Mol. Formula:
C23H22Br2N6O

M.W.:
558.28

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
105.82

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS