Compounds

Type:
Unknown

AlogP:
1.70

Polar Surface Area:
282.08

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4778229

Name:
(2S)-3-[[2-[[3-[4-(adamantane-1-carbonylamino)butanoylamino]-5-guanidinobenShow More⌵

Mol. Formula:
C39H51N9O9S

M.W.:
821.96

13 activity values

9 unique targets

Type:
Unknown

AlogP:
1.31

Polar Surface Area:
282.08

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4764427

Name:
(S)-3-(3-(4-guanidinobutyl)ureido)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-cShow More⌵

Mol. Formula:
C20H31N7O6S

M.W.:
497.58

Type:
Unknown

AlogP:
-1.03

Polar Surface Area:
206.81

HBA:
6

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4758256

Name:
(S)-3-(3-(5-guanidinopentyl)ureido)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-Show More⌵

Mol. Formula:
C21H33N7O6S

M.W.:
511.61

Type:
Unknown

AlogP:
-0.64

Polar Surface Area:
206.81

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4756602

Name:
(S)-3-(2-(3-guanidinobenzoyl)hydrazinecarboxamido)-2-((S)-1-(phenylsulfonylShow More⌵

Mol. Formula:
C23H28N8O7S

M.W.:
560.59

Type:
Unknown

AlogP:
-0.64

Polar Surface Area:
235.91

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4756339

Name:
(2S)-3-[[2-[[3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-5-guanidinobenShow More⌵

Mol. Formula:
C37H47N9O9S

M.W.:
793.90

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
282.08

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4750706

Name:
(S)-3-(2-(3-(4-aminobutanamido)-5-guanidinobenzamido)acetamido)-2-((S)-1-(pShow More⌵

Mol. Formula:
C28H37N9O8S

M.W.:
659.73

Type:
Unknown

AlogP:
-1.06

Polar Surface Area:
279.00

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4750022

Name:
(S)-3-(2-(3-guanidino-5-octanamidobenzamido)acetamido)-2-((S)-1-(phenylsulfShow More⌵

Mol. Formula:
C32H44N8O8S

M.W.:
700.82

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
252.98

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4749110

Name:
(2S)-3-[[2-[[3-[3-(adamantane-1-carbonylamino)propanoylamino]-5-guanidinobeShow More⌵

Mol. Formula:
C38H49N9O9S

M.W.:
807.93

Type:
Unknown

AlogP:
0.92

Polar Surface Area:
282.08

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4747956

Name:
(S)-3-(6-guanidinohexanamido)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxShow More⌵

Mol. Formula:
C21H32N6O6S

M.W.:
496.59

Type:
Unknown

AlogP:
-0.43

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4741135

Name:
(2S)-3-[[2-[[3-[[5-(1-adamantylamino)-5-oxopentanoyl]amino]-5-guanidinobenzShow More⌵

Mol. Formula:
C39H51N9O9S

M.W.:
821.96

Type:
Unknown

AlogP:
1.45

Polar Surface Area:
282.08

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4740822

Name:
(S)-15-amino-15-imino-1,6-dioxo-1-((S)-1-(phenylsulfonyl)pyrrolidin-2-yl)-2Show More⌵

Mol. Formula:
C22H35N7O6S

M.W.:
525.63

Type:
Unknown

AlogP:
-0.25

Polar Surface Area:
206.81

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4593469

Name:
(R)-3-(4-Oxo-1-(o-tolylcarbamoyl)azetidine-2-carboxamido)propanoic Acid

Mol. Formula:
C15H17N3O5

M.W.:
319.32

6 activity values

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
115.81

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4592812

Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzenesulfonylamino)-ethylcarShow More⌵

Mol. Formula:
C30H38N6O8S

M.W.:
642.74

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
192.05

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4592129

Name:
(2S,4R)-4-[((S)-2-Amino-2-carboxy-ethylcarbamoyl)-methoxy]-2-(pyridin-2-ylaShow More⌵

Mol. Formula:
C23H29N5O6

M.W.:
471.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
156.11

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4588965

Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2,6-dimethoxy-benzoylamino)-ethylcarbamoyl]-meShow More⌵

Mol. Formula:
C32H37N5O9

M.W.:
635.67

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
177.65

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4587822

Name:
(R)-(4-(2-Carboxy-4-oxoazetidine-1-carboxamido)phenyl)-methanaminium 2,2,2-Show More⌵

Mol. Formula:
C14H14F3N3O6

M.W.:
377.27

Type:
Unknown

AlogP:
0.36

Polar Surface Area:
112.73

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4587580

Name:
(2S,4R)-4-{[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzenesulfonylamino)-ethylcarShow More⌵

Mol. Formula:
C29H41N5O8S

M.W.:
619.74