Compounds

ALA5267210

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

Mol. Formula:
C37H45N5O6

M.W.:
655.80

Type:
---

AlogP:
4.03

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5266794

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

Mol. Formula:
C41H44ClN5O5

M.W.:
722.29

Type:
---

AlogP:
4.71

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5266611

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

Mol. Formula:
C21H31N3O3

M.W.:
373.50

Type:
---

AlogP:
1.57

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

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

ALA5278623

Name:
N-[(1S)-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

ALA5278546

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

Mol. Formula:
C35H40BrN5O5

M.W.:
690.64

Type:
---

AlogP:
3.59

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5278364

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

Mol. Formula:
C21H28F3N3O3

M.W.:
427.47

Type:
---

AlogP:
2.11

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5278250

Name:
benzyl N-[(2S)-1-{4-[(2R)-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

ALA5276449

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

Mol. Formula:
C34H39N5O6

M.W.:
613.72

Type:
---

AlogP:
3.01

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5276215

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

Mol. Formula:
C20H28FN3O3

M.W.:
377.46

Type:
---

AlogP:
1.47

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5274047

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

Mol. Formula:
C42H47N5O5

M.W.:
701.87

Type:
---

AlogP:
4.36

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5273187

Name:
benzyl N-[(1S)-1-({2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethyl}Show More⌵

Mol. Formula:
C34H39N5O6

M.W.:
613.72

Type:
---

AlogP:
3.01

Polar Surface Area:
137.15

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5291135

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

Mol. Formula:
C35H40BrN5O5

M.W.:
690.64

Type:
---

AlogP:
3.59

Polar Surface Area:
127.92

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS