Compounds

Type:
Unknown

AlogP:
7.87

Polar Surface Area:
178.21

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4870974

Name:
Benzyl [(2S)-1-{[(E)-3-(diethoxyphosphoryl)-1-phenylallyl]amino}-1-oxo-3-{[Show More⌵

Mol. Formula:
C39H53N2O11P

M.W.:
756.83

Type:
Unknown

AlogP:
7.14

Polar Surface Area:
149.11

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4870203

Name:
Benzyl(2S,4R)-2-{[(S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl}-4-{[(3Show More⌵

Mol. Formula:
C35H50N2O10

M.W.:
658.79

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
131.09

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4868442

Name:
Benzyl [(2S)-1-{[(2S)-1-{[(R,E)-3-(diethoxyphosphoryl)-1-phenylallyl]amino}Show More⌵

Mol. Formula:
C48H62N3O12P

M.W.:
904.01

Type:
Unknown

AlogP:
7.87

Polar Surface Area:
178.21

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4864385

Name:
Benzyl (25,4R)-2-{[(E)-3-(diethoxyphosphoryl)-1-phenylallyl]carbamoyl}-4-{[Show More⌵

Mol. Formula:
C41H55N2O11P

M.W.:
782.87

Type:
Unknown

AlogP:
7.63

Polar Surface Area:
140.32

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4863049

Name:
Methyl N-(benzylOxy)carbonyl]-O-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimShow More⌵

Mol. Formula:
C33H48N2O10

M.W.:
632.75

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
139.88

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4861198

Name:
Benzyl (2S,4R)-2-{[(2S)-1-{[(E)-3-(diethoxyphosphoryl)-1-phenylallyl]amino}Show More⌵

Mol. Formula:
C50H64N3O12P

M.W.:
930.05

Type:
Unknown

AlogP:
8.36

Polar Surface Area:
169.42

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4860649

Name:
Methyl N-[(benzyloxy)carbonyl]-O-[(3R,5as,6R,8aS,9R,10s,12R,12aR)-3,6,9-triShow More⌵

Mol. Formula:
C36H46N2O10

M.W.:
666.77

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
139.88

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4859035

Name:
Benzyl(2S,4R)-2-{[(S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl)-4-{[(3Show More⌵

Mol. Formula:
C38H48N2O10

M.W.:
692.81

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
131.09

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4858403

Name:
Methyl N-[(benzyloxy)carbonyl]-O-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-triShow More⌵

Mol. Formula:
C27H37NO9

M.W.:
519.59

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
110.78

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4857262

Name:
Benzyl [(2S)-1-{[(2S)-1-{[(R,E)-3-(diethoxyphosphoryl)-1-phenylallyl]amino}Show More⌵

Mol. Formula:
C45H64N3O12P

M.W.:
869.99

Type:
Unknown

AlogP:
7.67

Polar Surface Area:
178.21

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4854350

Name:
1-Benzyl 2-methyl(2S,4R)-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyShow More⌵

Mol. Formula:
C29H39NO9

M.W.:
545.63

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
101.99

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4853187

Name:
Benzyl [(2S)-1-{[(2S)-1-{[(S,E)-3-(diethoxyphosphoryl)-1-phenylallyl]amino}Show More⌵

Mol. Formula:
C45H64N3O12P

M.W.:
869.99

Type:
Unknown

AlogP:
7.67

Polar Surface Area:
178.21

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4850572

Name:
Benzyl (2S,4R)-2-{[(2S)-1-{[(R,E)-3-(diethoxyphosphoryl)-1-phenylallyl]aminShow More⌵

Mol. Formula:
C47H66N3O12P

M.W.:
896.03

Type:
Unknown

AlogP:
8.16

Polar Surface Area:
169.42

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4845812

Name:
Benzyl (2S,4R)-2-{[(2S)-1-{[(S,E)-3-(diethoxyphosphoryl)-1-phenylallyl]aminShow More⌵

Mol. Formula:
C47H66N3O12P

M.W.:
896.03

Type:
Unknown

AlogP:
8.16

Polar Surface Area:
169.42

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4786898

Name:
N-(4-((2,4-diaminopyrimidin-5-ylamino)methyl)phenethyl)-4-fluorobenzamide

Mol. Formula:
C20H21FN6O

M.W.:
380.43

3 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
118.95

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4218788

Name:
N-(4-(((2,4-Diaminoquinazolin-6-yl)amino)methyl)phenethyl)-4-fluorobenzamidShow More⌵

Mol. Formula:
C24H23FN6O

M.W.:
430.49

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
118.95

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4218177

Name:
N-(4-(((2,4-Diaminoquinazolin-6-yl)amino)methyl)phenethyl)-3-methoxybenzamiShow More⌵

Mol. Formula:
C25H26N6O2

M.W.:
442.52

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
128.18

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4216274

Name:
N-(4-(((2,4-Diaminoquinazolin-6-yl)amino)methyl)phenethyl)furan-2-carboxamiShow More⌵

Mol. Formula:
C22H22N6O2

M.W.:
402.46

4 activity values

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
132.09

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4214368

Name:
N-(4-(((2,4-Diaminoquinazolin-6-yl)amino)methyl)phenethyl)-4-methoxybenzamiShow More⌵

Mol. Formula:
C25H26N6O2

M.W.:
442.52

4 activity values