Compounds

MS023

Name:
N1-((4-(4-isopropoxyphenyl)-1H-pyrrol-3-yl)methyl)-N1-methylethane-1,2-diamShow More⌵

Mol. Formula:
C17H25N3O

M.W.:
287.41

69 activity values

31 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
54.28

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3590417

Name:
N-methyl-2-(4-(3-((methyl(2-(methylamino)ethyl)amino)methyl)-1H-pyrazol-4-yShow More⌵

Mol. Formula:
C22H27N5O2

M.W.:
393.49

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
82.28

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3589043

Name:
N,N-dimethyl-3-(4-(3-((methyl(2-(methylamino)ethyl)amino)methyl)-1H-pyrazolShow More⌵

Mol. Formula:
C23H29N5O2

M.W.:
407.52

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
73.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3589042

Name:
N,N-dimethyl-3-(4-(4-((methyl(2-(methylamino)ethyl)amino)methyl)-1H-pyrazolShow More⌵

Mol. Formula:
C23H29N5O2

M.W.:
407.52

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
73.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3589041

Name:
1-(4-(4-(4-(((2-aminoethyl)(methyl)amino)methyl)-1H-pyrazol-3-yl)phenyl)pipShow More⌵

Mol. Formula:
C25H32N6O

M.W.:
432.57

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
81.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3589040

Name:
N1-methyl-N1-((3-(4-(3-morpholinopropoxy)phenyl)-1H-pyrazol-4-yl)methyl)ethShow More⌵

Mol. Formula:
C20H31N5O2

M.W.:
373.50

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
79.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3589039

Name:
(trans)-N1,N2-dimethyl-N1-((3-(4-(3-(2-(tetrahydro-2H-pyran-4-yl)ethoxy)cycShow More⌵

Mol. Formula:
C25H38N4O3

M.W.:
442.60

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
71.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3589038

Name:
4-methyl-2-(3-(4-((methyl(2-(methylamino)ethyl)amino)methyl)-1H-pyrazol-5-yShow More⌵

Mol. Formula:
C21H31F3N4O2

M.W.:
428.50

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
73.41

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3409550

Name:
2-(3-(1,1-dimethyl-3-(3-phenylpropyl)-1H-benzo[e]indol-2(3H)-ylidene)prop-1Show More⌵

Mol. Formula:
C49H49BrN2

M.W.:
745.85

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
11.87

Polar Surface Area:
6.25

HBA:
1

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS