Compounds

ALA3217218

Name:
(+/-)-N-(1-(Piperidin-3-yl)indolin-5-yl)thiophene-2-carboximidamide dihydroShow More⌵

Mol. Formula:
C18H24Cl2N4S

M.W.:
399.39

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
51.15

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3216789

Name:
N-(1-(1-Methylpiperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide dihydShow More⌵

Mol. Formula:
C19H26Cl2N4S

M.W.:
413.42

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
42.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3216566

Name:
(+/-)-N-(1-(Pyrrolidin-3-yl)indolin-5-yl)thiophene-2-carboximidamide dihydrShow More⌵

Mol. Formula:
C17H22Cl2N4S

M.W.:
385.36

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
51.15

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3216328

Name:
N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide dihydrochloriShow More⌵

Mol. Formula:
C18H24Cl2N4S

M.W.:
399.39

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
51.15

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3216124

Name:
N-(1-(2-(dimethylamino)ethyl)indolin-5-yl)thiophene-2-carboximidamide dihydShow More⌵

Mol. Formula:
C17H24Cl2N4S

M.W.:
387.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
42.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3215893

Name:
N-(1-(2-(Pyrrolidin-1-yl)ethyl)indolin-5-yl)thiophene-2-carboximidamide dihShow More⌵

Mol. Formula:
C19H26Cl2N4S

M.W.:
413.42

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
42.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3215678

Name:
N-(1-(1-(2-Hydroxyethyl)piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidaShow More⌵

Mol. Formula:
C20H28Cl2N4OS

M.W.:
443.44

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
62.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3215677

Name:
(+/-)-N-(1-(1-Methylpyrrolidin-3-yl)indolin-5-yl)thiophene-2-carboximidamidShow More⌵

Mol. Formula:
C18H24Cl2N4S

M.W.:
399.39

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
42.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3215676

Name:
N-(1-(2-(Pyrrolidin-1-yl)acetyl)indolin-5-yl)thiophene-2-carboximidamide diShow More⌵

Mol. Formula:
C19H24Cl2N4OS

M.W.:
427.40

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
59.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3142587

Name:
cis-N-(1-(4-(Methylamino)cyclohexyl)indolin-5-yl)thiophene-2-carboximidamidShow More⌵

Mol. Formula:
C20H28Cl2N4S

M.W.:
427.45

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
51.15

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3142586

Name:
(-)-cis-N-(1-(2-Methylpiperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamiShow More⌵

Mol. Formula:
C19H26Cl2N4S

M.W.:
413.42

20 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
51.15

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1762476

Name:
(R)-4-methoxy-2-(3-(methylamino)-1-phenylpropoxy)benzonitrile oxalate

Mol. Formula:
C20H22N2O6

M.W.:
386.40

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
54.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA182305

Name:
5-Methyl-pyrrolidin-(2Z)-ylideneamine

Mol. Formula:
C5H10N2

M.W.:
98.15

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
38.38

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.47

DETAILS