Compounds

ALA4293691

Name:
2-phenyl-1-(4-phenylbutyl)aziridine

Mol. Formula:
C18H21N

M.W.:
251.37

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
3.01

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4289199

Name:
2-phenyl-1-(3-phenylpropyl)aziridine

Mol. Formula:
C17H19N

M.W.:
237.35

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
3.01

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4278553

Name:
1-phenethyl-2-phenylaziridine

Mol. Formula:
C16H17N

M.W.:
223.32

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
3.01

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3797654

Name:
2-((E)-4-(4-Bromophenyl)-1-hydroxybut-3-enyl)-1,4-dihydroxyanthracene-9,10-Show More⌵

Mol. Formula:
C24H17BrO5

M.W.:
465.30

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
94.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3617866

Name:
2-((Bis(2-chloroethyl)amino)(phenyl)methyl)-1-hydroxy-4-methoxyanthracene-9Show More⌵

Mol. Formula:
C26H23Cl2NO4

M.W.:
484.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
66.84

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3617864

Name:
2-((Bis(2-chloroethyl)amino)(3,4-dimethylphenyl)methyl)-1,4-dihydroxyanthraShow More⌵

Mol. Formula:
C27H25Cl2NO4

M.W.:
498.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
77.84

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3617862

Name:
2-((Bis(2-chloroethyl)amino)(4-methoxyphenyl)methyl)-1,4-dihydroxyanthracenShow More⌵

Mol. Formula:
C26H23Cl2NO5

M.W.:
500.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
87.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3617861

Name:
2-((Bis(2-chloroethyl)amino)(3-methoxyphenyl)methyl)-1,4-dihydroxyanthracenShow More⌵

Mol. Formula:
C26H23Cl2NO5

M.W.:
500.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
87.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3617860

Name:
2-((Bis(2-chloroethyl)amino)(2-methoxyphenyl)methyl)-1,4-dihydroxyanthracenShow More⌵

Mol. Formula:
C26H23Cl2NO5

M.W.:
500.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
87.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3617761

Name:
2-((Bis(2-chloroethyl)amino)(3-fluorophenyl)methyl)-1,4-dihydroxyanthraceneShow More⌵

Mol. Formula:
C25H20Cl2FNO4

M.W.:
488.34

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
77.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3617759

Name:
2-((Bis(2-chloroethyl)amino)(phenyl)methyl)-1,4-dihydroxyanthracene-9,10-diShow More⌵

Mol. Formula:
C25H21Cl2NO4

M.W.:
470.35

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
77.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3617756

Name:
2-(1-(Bis(2-chloroethyl)amino)-2-methylpropyl)-1,4-dihydroxyanthracene-9,10Show More⌵

Mol. Formula:
C22H23Cl2NO4

M.W.:
436.34

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
77.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS