Compounds

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4218248

Name:
(S)-N1-(9-((3-((S)-2-amino-5-guanidinopentanamido)propyl)amino)nonyl)-2-(4-Show More⌵

Mol. Formula:
C39H64N12O4

M.W.:
765.02

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4217269

Name:
(S)-N1-(4-((8-((S)-2-amino-5-guanidinopentanamido)octyl)amino)butyl)-2-(3-(Show More⌵

Mol. Formula:
C37H60N12O4

M.W.:
736.97

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4216489

Name:
(S)-N1-(4-((8-((S)-2-amino-5-guanidinopentanamido)octyl)amino)butyl)-2-(3-(Show More⌵

Mol. Formula:
C39H64N12O4

M.W.:
765.02

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4215306

Name:
(S,E)-N-(9-((3-(2-amino-5-guanidinopentanamido)pro-pyl)amino)nonyl)-3-((4-(Show More⌵

Mol. Formula:
C33H54N10O2

M.W.:
622.86

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
186.11

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4214100

Name:
(S)-N1-(4-((8-((S)-2-amino-5-guanidinopentanamido)octyl)amino)butyl)-2-(4-(Show More⌵

Mol. Formula:
C37H60N12O4

M.W.:
736.97

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4213840

Name:
(S,E)-N-(9-((3-(2-amino-5-guanidinopentanamido)pro-pyl)amino)nonyl)-4-((4-(Show More⌵

Mol. Formula:
C33H54N10O2

M.W.:
622.86

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
186.11

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4210885

Name:
(S,E)-N-(9-((3-(2-amino-5-guanidinopentanamido)propyl)-amino)nonyl)-3-((4-(Show More⌵

Mol. Formula:
C35H58N10O2

M.W.:
650.92

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
186.11

HBA:
8

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4210363

Name:
(S,E)-N-(9-((3-(2-amino-5-guanidinopentanamido)pro-pyl)amino)nonyl)-4-((4-(Show More⌵

Mol. Formula:
C35H58N10O2

M.W.:
650.92

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
186.11

HBA:
8

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4206517

Name:
(S)-N1-(9-((3-((S)-2-amino-5-guanidinopentanamido)propyl)amino)nonyl)-2-(3-Show More⌵

Mol. Formula:
C37H60N12O4

M.W.:
736.97

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4205608

Name:
(S)-N1-(9-((3-((S)-2-amino-5-guanidinopentanamido)propyl)amino)nonyl)-2-(4-Show More⌵

Mol. Formula:
C37H60N12O4

M.W.:
736.97

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
258.30

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3786611

Name:
(S)-2-Amino-3-(3-hydroxy-5-(2-(3-((isopropylamino)methyl)benzyl)-2H-tetrazoShow More⌵

Mol. Formula:
C18H23N7O4

M.W.:
401.43

11 activity values

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
165.21

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3785581

Name:
(S)-2-Amino-3-(5-(2-(3-((ethylamino)methyl)benzyl)-2H-tetrazol-5-yl)-3-hydrShow More⌵

Mol. Formula:
C17H21N7O4

M.W.:
387.40

11 activity values

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
165.21

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3785285

Name:
(S)-2-Amino-3-(3-hydroxy-5-(2-(3-((methylamino)methyl)benzyl)-2H-tetrazol-5Show More⌵

Mol. Formula:
C16H19N7O4

M.W.:
373.37

11 activity values

Type:
Small molecule

AlogP:
-0.24

Polar Surface Area:
165.21

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3786901

Name:
(S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxShow More⌵

Mol. Formula:
C15H17N7O4

M.W.:
359.35

29 activity values

Type:
Small molecule

AlogP:
-0.50

Polar Surface Area:
179.20

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2397274

Name:
rac-(E)-(3-Bromophenyl)(6-methoxy-1-(4-methoxystyryl)-3,4-dihydroisoquinoliShow More⌵

Mol. Formula:
C26H24BrNO3

M.W.:
478.39

9 activity values

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2397272

Name:
rac-(3-Bromophenyl)(6,7-dimethoxy-1-(4-methoxyphenethyl)-3,4-dihydroisoquinShow More⌵

Mol. Formula:
C27H28BrNO4

M.W.:
510.43

9 activity values

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2397271

Name:
rac-(3-Chlorophenyl)(6,7-dimethoxy-1-(4-methoxyphenethyl)-3,4-dihydroisoquiShow More⌵

Mol. Formula:
C27H28ClNO4

M.W.:
465.98

5 activity values

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2397257

Name:
rac-(3-Bromophenyl)(6-methoxy-1-((4-methoxyphenoxy)-methyl)-3,4-dihydroisoqShow More⌵

Mol. Formula:
C25H24BrNO4

M.W.:
482.37

9 activity values

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2397256

Name:
rac-(3-Chlorophenyl)(6-methoxy-1-((4-methoxyphenoxy)-methyl)-3,4-dihydroisoShow More⌵

Mol. Formula:
C25H24ClNO4

M.W.:
437.92

24 activity values