Compounds

Type:
---

AlogP:
5.73

Polar Surface Area:
29.26

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5198183

Name:
N1-(4-chlorophenyl)-N4-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phShow More⌵

Mol. Formula:
C41H52ClN7O5

M.W.:
758.36

Type:
---

AlogP:
5.43

Polar Surface Area:
151.98

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5197285

Name:
N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More⌵

Mol. Formula:
C40H53N7O5S

M.W.:
743.97

7 activity values

6 unique targets

Type:
---

AlogP:
4.76

Polar Surface Area:
152.84

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5196378

Name:
N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More⌵

Mol. Formula:
C42H55N7O5

M.W.:
737.95

Type:
---

AlogP:
4.70

Polar Surface Area:
152.84

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5205986

Name:
N-cyclooctyloleamide

Mol. Formula:
C26H49NO

M.W.:
391.68

Type:
---

AlogP:
8.25

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5205890

Name:
N1-((S)-1-(((S)-1-((2-chlorobenzyl)(methyl)amino)-1-oxo-4-phenylbutan-2-yl)Show More⌵

Mol. Formula:
C40H52ClN7O5

M.W.:
746.35

Type:
---

AlogP:
4.82

Polar Surface Area:
144.05

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5204892

Name:
N1-((S)-1-((S)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxo-4-phenylbutan-2-ylShow More⌵

Mol. Formula:
C41H53N7O5

M.W.:
723.92

Type:
---

AlogP:
4.09

Polar Surface Area:
144.05

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5204673

Name:
N4-methyl-N1-((S)-1-(((S)-1-(methyl((S)-1-phenylethyl)amino)-1-oxo-4-phenylShow More⌵

Mol. Formula:
C41H55N7O5

M.W.:
725.94

Type:
---

AlogP:
4.72

Polar Surface Area:
144.05

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5204252

Name:
Scytonemide A

Mol. Formula:
C36H56N8O9

M.W.:
744.89

Type:
---

AlogP:
-1.07

Polar Surface Area:
270.51

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5202627

Name:
N4-(4-chlorophenyl)-N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-Show More⌵

Mol. Formula:
C43H55ClN6O5

M.W.:
771.40

Type:
---

AlogP:
5.96

Polar Surface Area:
139.95

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5202412

Name:
N-(4-chlorobenzyl)oleamide

Mol. Formula:
C25H40ClNO

M.W.:
406.05

Type:
---

AlogP:
7.99

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5201055

Name:
N4-(4-fluorophenyl)-N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-Show More⌵

Mol. Formula:
C43H55FN6O5

M.W.:
754.95

Type:
---

AlogP:
5.44

Polar Surface Area:
139.95

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5200556

Name:
tert-Butyl 4-((2-Chloro-10H-phenothiazin-10-yl)methyl)benzoate

Mol. Formula:
C24H22ClNO2S

M.W.:
423.97

Type:
---

AlogP:
7.10

Polar Surface Area:
29.54

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5199732

Name:
N-cyclohexyloleamide

Mol. Formula:
C24H45NO

M.W.:
363.63

Type:
---

AlogP:
7.47

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5209077

Name:
N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More⌵

Mol. Formula:
C42H55N7O5

M.W.:
737.95

Type:
---

AlogP:
4.70

Polar Surface Area:
152.84

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5208573

Name:
(S)-2-(4-(indoline-1-carbonyl)piperidine-1-carboxamido)-N4-neopentyl-N1-((SShow More⌵

Mol. Formula:
C44H56N6O5

M.W.:
748.97

Type:
---

AlogP:
5.23

Polar Surface Area:
139.95

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5207458

Name:
N-(4-(trifluoromethyl)benzyl)oleamide

Mol. Formula:
C26H40F3NO

M.W.:
439.61

Type:
---

AlogP:
8.36

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5207222

Name:
N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More⌵

Mol. Formula:
C40H53N7O5

M.W.:
711.91