Compounds

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3982271

Name:
(1-{3-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]propyl}-1H-imidazol-4-yl)acetShow More⌵

Mol. Formula:
C28H26N2O4

M.W.:
454.53

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3969687

Name:
3-[1-(2-{1E)-3-[9-(4-Methoxyphenyl)-9H-fluoren-9-yl]propenyloxy}ethyl)-1H-iShow More⌵

Mol. Formula:
C31H30N2O4

M.W.:
494.59

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3964804

Name:
(1-{4-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]butyl}-1H-imidazol-5-yl)acetiShow More⌵

Mol. Formula:
C29H28N2O4

M.W.:
468.55

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3941169

Name:
3-(1-{5-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]pentyl}-1H-imidazol-2-yl)prShow More⌵

Mol. Formula:
C31H32N2O4

M.W.:
496.61

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3940131

Name:
3-(1-{(1E)-3-[9-(4-Methoxyphenyl)-9H-fluoren-9-yl]propenyl}-1H-imidazol-2-yShow More⌵

Mol. Formula:
C29H26N2O3

M.W.:
450.54

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3928077

Name:
3-(1-{(2E)-4-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]but-2-en-1-yl}-1H-imidShow More⌵

Mol. Formula:
C30H28N2O4

M.W.:
480.56

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3918088

Name:
3-(1-{5-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]pentyl}-1H-imidazol-2-yl)prShow More⌵

Mol. Formula:
C31H30N2O4

M.W.:
494.59

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3913181

Name:
3-(1-{4-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]butyl}-1H-imidazol-2-yl)proShow More⌵

Mol. Formula:
C30H30N2O4

M.W.:
482.58

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3900098

Name:
3-(1-{(2Z)-4-[9-(4-Methoxyphenyl)-9H-fluoren-9-yloxy]but-2-en-1-yl}-1H-imidShow More⌵

Mol. Formula:
C30H28N2O4

M.W.:
480.56

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
73.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3900013

Name:
(1-{(1E)-3-[9-(4-Methoxyphenyl)-9H-fluoren-9-yl]prop-2-en-1-yl}-1H-imidazolShow More⌵

Mol. Formula:
C28H24N2O3

M.W.:
436.51

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3895253

Name:
3-[1-(4,4-Diphenylbut-3-en-1-yl)-1H-imidazol-2-yl]propanoic acid

Mol. Formula:
C22H22N2O2

M.W.:
346.43

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3403567

Name:
6-((3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)(methyl)amiShow More⌵

Mol. Formula:
C26H29NO2

M.W.:
387.52

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3403566

Name:
6-((2-(((diphenylmethylene)amino)oxy)ethyl)(methyl)amino)cyclohex-1-enecarbShow More⌵

Mol. Formula:
C23H26N2O3

M.W.:
378.47

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3403565

Name:
(1S,2R)-2-((2-(bis(4-(Trifluoromethyl)phenyl)methoxy)ethyl)(methyl)amino)cyShow More⌵

Mol. Formula:
C25H27F6NO3

M.W.:
503.48

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3403564

Name:
(1R,2S)-2-((2-(bis(4-(Trifluoromethyl)phenyl)methoxy)ethyl)(methyl)amino)cyShow More⌵

Mol. Formula:
C25H27F6NO3

M.W.:
503.48

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3403563

Name:
(1S,2R)-2-((3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)(meShow More⌵

Mol. Formula:
C26H31NO2

M.W.:
389.54

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3403562

Name:
(1R,2S)-2-((3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)(meShow More⌵

Mol. Formula:
C26H31NO2

M.W.:
389.54

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3403561

Name:
(1S,2R)-2-((2-(((Diphenylmethylene)amino)oxy)ethyl)(methyl)amino)cyclohexanShow More⌵

Mol. Formula:
C23H28N2O3

M.W.:
380.49

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3403560

Name:
(1R,2S)-2-((2-(((Diphenylmethylene)amino)oxy)ethyl)(methyl)amino)cyclohexanShow More⌵

Mol. Formula:
C23H28N2O3

M.W.:
380.49