Compounds

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
167.54

HBA:
4

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA277195

Name:
3-(S)-1H-Indol-3-yl-2-[(S)-4-methyl-2-(4-phenyl-1-phosphono-butylamino)-penShow More⌵

Mol. Formula:
C27H36N3O6P

M.W.:
529.57

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
151.75

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA25269

Name:
3-(S)-1H-Indol-3-yl-2-[(S)-4-methyl-2-(3-naphthalen-1-yl-1-phosphono-propylShow More⌵

Mol. Formula:
C30H36N3O6P

M.W.:
565.61

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
151.75

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA282663

Name:
2-{(S)-2-[3-(4-Hydroxy-phenyl)-1-phosphono-propylamino]-4-methyl-pentanoylaShow More⌵

Mol. Formula:
C26H34N3O7P

M.W.:
531.55

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
171.98

HBA:
5

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA25553

Name:
PO3 2-Val-Asn-O-3K

Mol. Formula:
C27H63N6O7P

M.W.:
614.81

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
179.05

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA281785

Name:
PO3 2-Ile-Trp-O-3K

Mol. Formula:
C17H21K3N3O6P

M.W.:
511.64

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
151.75

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA281333

Name:
3-(S)-1H-Indol-3-yl-2-[(S)-4-methyl-2-(phosphonomethyl-amino)-pentanoylaminShow More⌵

Mol. Formula:
C18H26N3O6P

M.W.:
411.40

3 activity values

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
151.75

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA279255

Name:
3-(S)-1H-Indol-3-yl-2-[(S)-4-methyl-2-(1-phosphono-butylamino)-pentanoylamiShow More⌵

Mol. Formula:
C21H32N3O6P

M.W.:
453.48

3 activity values

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
151.75

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA281562

Name:
PO3 2-Leu-Trp-O-3K

Mol. Formula:
C17H21K3N3O6P

M.W.:
511.64

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
151.75

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA22509

Name:
PO3 2-Nle-Trp-O-3K

Mol. Formula:
C17H21K3N3O6P

M.W.:
511.64

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
151.75

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA280917

Name:
PO3 2-Leu-Nal-O-3K

Mol. Formula:
C19H22K3N2O6P

M.W.:
522.66

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
135.96

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA277199

Name:
3-(S)-1H-Indol-3-yl-2-[(S)-4-methyl-2-(3-phenyl-1-phosphono-propylamino)-peShow More⌵

Mol. Formula:
C26H34N3O6P

M.W.:
515.55