Compounds

ALA250377

Name:
3-((4-benzyl-1-piperazinyl)methyl)-6-(3-(4-methoxyphenyl)-2-propenoyl)-2(3HShow More⌵

Mol. Formula:
C29H29N3O4

M.W.:
483.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
67.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA250163

Name:
3-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-6-(3-(4-methoxyphenyl)-2-propShow More⌵

Mol. Formula:
C29H29N3O5

M.W.:
499.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
77.15

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA399780

Name:
6-(3-(4-methoxyphenyl)-2-propenoyl)-3-(4-thiomorpholinylmethyl)-2(3H)-benzoShow More⌵

Mol. Formula:
C22H22N2O4S

M.W.:
410.50

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
64.68

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA436836

Name:
6-(3-(4-methoxyphenyl)-2-propenoyl)-3-(4-morpholinylmethyl)-2(3H)-benzoxazoShow More⌵

Mol. Formula:
C22H22N2O5

M.W.:
394.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
73.91

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA249962

Name:
3-((4-benzyl-1-piperazinyl)methyl)-6-(3-phenyl-2-propenoyl)-2(3H)-benzoxazoShow More⌵

Mol. Formula:
C28H27N3O3

M.W.:
453.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
58.69

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA249961

Name:
3-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-6-(3-phenyl-2-propenoyl)-2(3HShow More⌵

Mol. Formula:
C28H27N3O4

M.W.:
469.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
67.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA249756

Name:
6-(3-phenyl-2-propenoyl)-3-(4-thiomorpholinylmethyl)-2(3H)-benzoxazolone

Mol. Formula:
C21H20N2O3S

M.W.:
380.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
55.45

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA249755

Name:
3-(4-morpholinylmethyl)-6-(3-phenyl-2-propenoyl)-2(3H)-benzoxazolone

Mol. Formula:
C21H20N2O4

M.W.:
364.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
64.68

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA400946

Name:
6-(3-phenyl-2-propenoyl)-3-(1-piperidinylmethyl)-2(3H)-benzoxazolone

Mol. Formula:
C22H22N2O3

M.W.:
362.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
55.45

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS