Compounds

ALA4218996

Name:
(4R)-1-[2-Oxo-2-(piperidin-1-yl)ethyl]-3',4'-dihydro-2H,2'H,5H-spiro[imidazShow More⌵

Mol. Formula:
C19H23N3O3

M.W.:
341.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4218961

Name:
N-[4-(2,5-Dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzaShow More⌵

Mol. Formula:
C22H24N2O6S

M.W.:
444.51

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
88.14

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4215683

Name:
1-(3,4-Dihydroquinolin-1(2H)-yl)-2-[(2R)-2-propyl-2,3-dihydro-1H-benzimidazShow More⌵

Mol. Formula:
C21H25N3O

M.W.:
335.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4215372

Name:
N-[(2R,3S,3aR,7aS)-3-Cyanooctahydro-1-benzothiophen-2-yl]-2-[(2R)-2-methylpShow More⌵

Mol. Formula:
C17H27N3OS

M.W.:
321.49

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
56.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4213201

Name:
3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-chromShow More⌵

Mol. Formula:
C20H17N3O5S

M.W.:
411.44

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
95.71

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4210951

Name:
N-(Ethenylcarbamoyl)-acetamide

Mol. Formula:
C5H8N2O2

M.W.:
128.13

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.02

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA4206759

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetShow More⌵

Mol. Formula:
C20H20N2O2

M.W.:
320.39

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4205700

Name:
2-(2,3-Dihydro-1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamidShow More⌵

Mol. Formula:
C20H22N2O

M.W.:
306.41

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4203184

Name:
1-(2,3-Dihydro-1H-indol-1-yl)-2-[(3R)-3,5,6,7-tetrahydro-2H-indeno[5,6-b]fuShow More⌵

Mol. Formula:
C21H21NO2

M.W.:
319.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4202679

Name:
(1R)-1,4-Dihydronaphthalen-1-yloxo[(2R)-1,2,3,4-tetrahydronaphthalen-2-ylamShow More⌵

Mol. Formula:
C22H21NO3

M.W.:
347.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1289130

Name:
N2-(7-trifluoromethylthio-4-quinolinyl)-N1,N1-diethyl-1,2-ethanediamine

Mol. Formula:
C16H20F3N3S

M.W.:
343.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
28.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1288796

Name:
4-(cyclopentylamino)-7-chloro-quinoline

Mol. Formula:
C14H15ClN2

M.W.:
246.74

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
24.92

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS