Compounds

ALA5272528

Name:
benzyl N-[(2S)-1-{4-[(2S)-4-methyl-2-[(naphthalen-1-yl)formamido]pentanoyl]Show More⌵

Mol. Formula:
C38H47N5O6

M.W.:
669.82

Type:
---

AlogP:
4.42

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5270888

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]-2-oxopropanamide

Mol. Formula:
C20H29N3O4

M.W.:
375.47

Type:
---

AlogP:
0.58

Polar Surface Area:
86.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5270812

Name:
N-[(1R)-1-benzyl-2-[4-[(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-6-(prop-2-enShow More⌵

Mol. Formula:
C41H44BrN5O5

M.W.:
766.74

Type:
---

AlogP:
4.81

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5270319

Name:
benzyl N-[(2S)-1-{4-[(2R)-2-[(naphthalen-1-yl)formamido]propanoyl]piperazinShow More⌵

Mol. Formula:
C35H41N5O6

M.W.:
627.74

Type:
---

AlogP:
3.40

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5269953

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]diazoacetamide

Mol. Formula:
C19H27N5O3

M.W.:
373.46

Type:
---

AlogP:
0.29

Polar Surface Area:
106.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5269861

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]propiolamide

Mol. Formula:
C20H27N3O3

M.W.:
357.45

Type:
---

AlogP:
0.62

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5269633

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]pentafluorobenzeneShow More⌵

Mol. Formula:
C23H26F5N3O4S

M.W.:
535.54

Type:
---

AlogP:
2.55

Polar Surface Area:
86.79

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5269332

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]-3-chloropropenamiShow More⌵

Mol. Formula:
C20H28ClN3O3

M.W.:
393.92

Type:
---

AlogP:
1.74

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5268320

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]chloroacetamide

Mol. Formula:
C19H28ClN3O3

M.W.:
381.90

Type:
---

AlogP:
1.23

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5268157

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]cyanoacetamide

Mol. Formula:
C20H28N4O3

M.W.:
372.47

Type:
---

AlogP:
0.90

Polar Surface Area:
93.51

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5268027

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]-2-chloropropenamiShow More⌵

Mol. Formula:
C20H28ClN3O3

M.W.:
393.92

Type:
---

AlogP:
1.74

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5267941

Name:
benzyl N-[(2S)-1-{4-[(2S)-3-methyl-2-[(naphthalen-1-yl)formamido]pentanoyl]Show More⌵

Mol. Formula:
C38H47N5O6

M.W.:
669.82

Type:
---

AlogP:
4.42

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5282572

Name:
N-2-[4-[[1-Adamantanecarbonyl]-1-piperazinyl]-2-oxoethyl]chlorofluoroacetamShow More⌵

Mol. Formula:
C19H27ClFN3O3

M.W.:
399.89

Type:
---

AlogP:
1.52

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5282531

Name:
benzyl N-[(2S)-1-{4-[(2R)-2-[(naphthalen-1-yl)formamido]-3-phenylpropanoyl]Show More⌵

Mol. Formula:
C41H45N5O6

M.W.:
703.84

Type:
---

AlogP:
4.62

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5281708

Name:
benzyl N-[(2S)-1-{4-[(2S)-2-[(naphthalen-1-yl)formamido]-3-phenylpropanoyl]Show More⌵

Mol. Formula:
C41H45N5O6

M.W.:
703.84

Type:
---

AlogP:
4.62

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5280429

Name:
N-[(1S)-1-benzyl-2-[4-[(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-6-(prop-2-enShow More⌵

Mol. Formula:
C41H44BrN5O5

M.W.:
766.74

Type:
---

AlogP:
4.81

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5280079

Name:
N-[(1R)-2-[4-[(2S)-2-[[2-(2-chlorophenyl)acetyl]amino]-6-(prop-2-enoylaminoShow More⌵

Mol. Formula:
C35H40ClN5O5

M.W.:
646.19

Type:
---

AlogP:
3.48

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5279900

Name:
N-[(1S)-2-[4-[(2S)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-6-(prop-2-enoylaShow More⌵

Mol. Formula:
C35H39F2N5O5

M.W.:
647.72

Type:
---

AlogP:
3.11

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5279745

Name:
benzyl N-[(2S)-1-{4-[(2S)-2-[(naphthalen-1-yl)formamido]propanoyl]piperazinShow More⌵

Mol. Formula:
C35H41N5O6

M.W.:
627.74

Type:
---

AlogP:
3.40

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5279051

Name:
N-[(2R)-1-{4-[(2S)-2-[2-(2-methylphenyl)acetamido]-6-(prop-2-enamido)hexanoShow More⌵

Mol. Formula:
C36H43N5O5

M.W.:
625.77

Type:
---

AlogP:
3.14

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS