Compounds

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
180.08

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4106288

Name:
(S)-N-1-(ammoniomethylamino)-4-methyl-1-oxopentan-2-yl-P-((benzyloxycarbonyShow More⌵

Mol. Formula:
C16H26LiN4O5P

M.W.:
392.32

Type:
Small molecule

AlogP:
1.09

Polar Surface Area:
142.78

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4106287

Name:
(S)-N-1-(2-ammonioethylamino)-4-methyl-1-oxopentan-2-yl-P-((benzyloxycarbonShow More⌵

Mol. Formula:
C17H28LiN4O5P

M.W.:
406.35

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
142.78

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4106286

Name:
(S)-N-1-(3-ammoniopropylamino)-4-methyl-1-oxopentan-2-yl-P-((benzyloxycarboShow More⌵

Mol. Formula:
C18H30LiN4O5P

M.W.:
420.38

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
142.78

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4106285

Name:
(S)-N-1-(4-ammoniobutylamino)-4-methyl-1-oxopentan-2-yl-P-((benzyloxycarbonShow More⌵

Mol. Formula:
C19H32LiN4O5P

M.W.:
434.40

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
142.78

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4106284

Name:
(2S)-3-azaniumyl-2-[[(2S)-2-[[benzyloxycarbonylaminomethyl(oxido)phosphorylShow More⌵

Mol. Formula:
C18H27Li2N4O7P

M.W.:
456.29

Type:
Small molecule

AlogP:
0.59

Polar Surface Area:
180.08

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4106283

Name:
(2S)-4-azaniumyl-2-[[(2S)-2-[[benzyloxycarbonylaminomethyl(oxido)phosphorylShow More⌵

Mol. Formula:
C19H29Li2N4O7P

M.W.:
470.32

Type:
Small molecule

AlogP:
0.98

Polar Surface Area:
180.08

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4106282

Name:
(2S)-5-azaniumyl-2-[[(2S)-2-[[benzyloxycarbonylaminomethyl(oxido)phosphorylShow More⌵

Mol. Formula:
C20H32LiN4O7P

M.W.:
478.41

Type:
Small molecule

AlogP:
1.37

Polar Surface Area:
180.08

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3559407

Name:
(2S)-2-[(2S)-2-{[({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]amShow More⌵

Mol. Formula:
C24H32N3O7P

M.W.:
505.51

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
154.06

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3409535

Name:
Di-lithium((S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)propanShow More⌵

Mol. Formula:
C21H24Li2N3O7P

M.W.:
475.29

Type:
Small molecule

AlogP:
1.85

Polar Surface Area:
154.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3409534

Name:
Di-lithium(2S)-N-((S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)aminoShow More⌵

Mol. Formula:
C16H22Li2N3O7P

M.W.:
413.22

Type:
Small molecule

AlogP:
1.01

Polar Surface Area:
154.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3409533

Name:
Di-lithium((S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)propanShow More⌵

Mol. Formula:
C15H20Li2N3O7P

M.W.:
399.20

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
154.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3409532

Name:
Di-lithium((S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)propanShow More⌵

Mol. Formula:
C14H18Li2N3O7P

M.W.:
385.17

Type:
Small molecule

AlogP:
0.23

Polar Surface Area:
154.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3407521

Name:
(S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)-N-(2-phenylethylShow More⌵

Mol. Formula:
C20H25LiN3O5P

M.W.:
425.35

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
116.76

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3409531

Name:
(S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)-N-propyl propanaShow More⌵

Mol. Formula:
C15H23LiN3O5P

M.W.:
363.28

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
116.76

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3409530

Name:
(S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)-N-ethylpropanamiShow More⌵

Mol. Formula:
C14H21LiN3O5P

M.W.:
349.25

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
116.76

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3409529

Name:
(S)-2-((N-(benzyloxycarbonyl)-aminomethylphosphonyl)amino)-N-methyl propanaShow More⌵

Mol. Formula:
C13H19LiN3O5P

M.W.:
335.23

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
116.76

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3409528

Name:
dilithium(1+) ion (2S)-2-[(2S)-2-{[({[(benzyloxy)carbonyl]amino}methyl)phosShow More⌵

Mol. Formula:
C22H28Li2N3O7PS

M.W.:
523.40

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
154.06

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3409526

Name:
dilithium(1+) ion (2S)-2-[(2S)-2-{[({[(benzyloxy)carbonyl]amino}methyl)phosShow More⌵

Mol. Formula:
C22H34Li2N3O7P

M.W.:
497.38

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
154.06

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3409525

Name:
dilithium(1+) ion (2S)-2-[(2S)-2-{[({[(benzyloxy)carbonyl]amino}methyl)phosShow More⌵

Mol. Formula:
C21H32Li2N3O7P

M.W.:
483.36