Compounds

ALA2092880

Name:
(R)(1-Methyl-Hexyloxycarbonyl)-carbamic acid 2,6-diisopropyl-phenyl ester

Mol. Formula:
C21H33NO4

M.W.:
363.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1907860

Name:
(S)(1-Methyl-Hexyloxycarbonyl)-carbamic acid 2,6-diisopropyl-phenyl ester

Mol. Formula:
C21H33NO4

M.W.:
363.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA563918

Name:
N-[1-(2-Ethoxyethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dShow More⌵

Mol. Formula:
C20H33N3O4S

M.W.:
411.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA556503

Name:
N-[1-(Cyclopentyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dimShow More⌵

Mol. Formula:
C22H35N3O3S

M.W.:
421.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA559318

Name:
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methyl-2-butenyl)indolin-7-yl]-Show More⌵

Mol. Formula:
C21H33N3O3S

M.W.:
407.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA559117

Name:
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methylbutyl)indolin-7-yl]-2,2-dShow More⌵

Mol. Formula:
C21H35N3O3S

M.W.:
409.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA556232

Name:
N-(1-Butyl-5-methanesulfonylamino-4,6-dimethylindol-7-yl)-2,2-dimethylpropaShow More⌵

Mol. Formula:
C20H31N3O3S

M.W.:
393.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
80.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA558455

Name:
N-(1-Isopropyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethyShow More⌵

Mol. Formula:
C19H31N3O3S

M.W.:
381.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA563699

Name:
N-(1-Isobutyl-5-methanesulfonylamino-4,6-dimethylindol-7-yl)-2,2-dimethylprShow More⌵

Mol. Formula:
C20H31N3O3S

M.W.:
393.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
80.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA555564

Name:
N-[1-(Cyclobutylmethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,Show More⌵

Mol. Formula:
C21H33N3O3S

M.W.:
407.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA554505

Name:
N-[1-(2,2-Dimethylpropyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-Show More⌵

Mol. Formula:
C21H36ClN3O3S

M.W.:
446.06

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA549649

Name:
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(2-methylpropyl)indolin-7-yl]-2,2-Show More⌵

Mol. Formula:
C20H33N3O3S

M.W.:
395.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA551410

Name:
N-[5-Methanesulfonylamino-1-(2-methoxyethyl)-4,6-dimethylindolin-7-yl]-2,2-Show More⌵

Mol. Formula:
C19H31N3O4S

M.W.:
397.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA564138

Name:
N-(1-Butyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylbutShow More⌵

Mol. Formula:
C21H35N3O3S

M.W.:
409.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA558831

Name:
N-(1-Butyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)isobutyramide

Mol. Formula:
C19H31N3O3S

M.W.:
381.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA560997

Name:
N-[1-(Cyclopropylmethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2Show More⌵

Mol. Formula:
C20H31N3O3S

M.W.:
393.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA561798

Name:
N-(1-Ethyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylproShow More⌵

Mol. Formula:
C18H29N3O3S

M.W.:
367.52

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA561135

Name:
N-(5,7-dimethyl-6-(methylsulfonamido)-1-propyl-1,2,3,4-tetrahydroquinolin-8Show More⌵

Mol. Formula:
C20H34ClN3O3S

M.W.:
432.03

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA545661

Name:
1-(2,6-Diisopropyl-phenyl)-3-[1-(3-dimethylaminomethyl-phenyl)-cyclopentylmShow More⌵

Mol. Formula:
C28H42ClN3O

M.W.:
472.12

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.63

Polar Surface Area:
44.37

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

Nevanimibe hydrochloride

Name:
1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-phenyl)-cyclopentylmethyl]Show More⌵

Mol. Formula:
C27H40ClN3O

M.W.:
458.09

37 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.63

Polar Surface Area:
44.37

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS