Compounds

NDT9520492

Name:
(S)-N-(2,3-dihydro-1H-inden-2-yl)-N-(2-fluorobenzyl)-2-((R)-1-(naphthalen-1Show More⌵

Mol. Formula:
C38H35FN2O

M.W.:
554.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.51

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4245250

Name:
N,N-bis(benzo[d][1,3]dioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-imidazol-5-Show More⌵

Mol. Formula:
C35H33N3O4

M.W.:
559.67

7 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.68

Polar Surface Area:
57.98

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3735014

Name:
(S)-N-((3R,6S,9S,15S,20aS)-6-((1H-indol-2-yl)methyl)-3-(cyclohexylmethyl)-9Show More⌵

Mol. Formula:
C47H65N11O7

M.W.:
896.11

1 activity values

1 unique targets

Type:
Protein

AlogP:
1.53

Polar Surface Area:
272.60

HBA:
8

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3736513

Name:
(S)-2-(2-((S)-1-(5-bromonicotinamido)-3-methylbutyl)-5-methyloxazole-4-carbShow More⌵

Mol. Formula:
C22H30BrN7O5

M.W.:
552.43

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
196.32

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3736325

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-phenoxybenzamido)butyl)oxaShow More⌵

Mol. Formula:
C29H36N6O6

M.W.:
564.64

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3735404

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-((E)-phenyldiazenyl)benzamShow More⌵

Mol. Formula:
C29H36N8O5

M.W.:
576.66

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
208.15

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3734951

Name:
(S)-2-(2-((S)-1-(3-benzylureido)-3-methylbutyl)-5-methyloxazole-4-carboxamiShow More⌵

Mol. Formula:
C24H35N7O5

M.W.:
501.59

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
195.46

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3736340

Name:
(S)-2-(2-((S)-1-(2-(2,5-dimethoxyphenyl)acetamido)-3-methylbutyl)-5-methyloShow More⌵

Mol. Formula:
C26H38N6O7

M.W.:
546.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
201.89

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3735180

Name:
(S)-2-(2-((S)-1-(2-(3,4-dimethoxyphenyl)acetamido)-3-methylbutyl)-5-methyloShow More⌵

Mol. Formula:
C26H38N6O7

M.W.:
546.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
201.89

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3736115

Name:
(S)-5-guanidino-2-(2-((S)-1-(3-methoxybenzamido)-3-methylbutyl)-5-methyloxaShow More⌵

Mol. Formula:
C24H34N6O6

M.W.:
502.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3735332

Name:
(S)-5-guanidino-2-(2-((S)-1-(3-(4-methoxyphenyl)propanamido)-3-methylbutyl)Show More⌵

Mol. Formula:
C26H38N6O6

M.W.:
530.63

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3735774

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(phenylsulfonylmethanamido)buShow More⌵

Mol. Formula:
C23H32N6O7S

M.W.:
536.61

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
217.57

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3735495

Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(4-methoxyphenyl)acetamido)-3-methylbutyl)-5Show More⌵

Mol. Formula:
C25H36N6O6

M.W.:
516.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3735358

Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(3-methoxyphenyl)acetamido)-3-methylbutyl)-5Show More⌵

Mol. Formula:
C25H36N6O6

M.W.:
516.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3734890

Name:
(S)-5-guanidino-2-(2-((S)-1-(2-(2-methoxyphenyl)acetamido)-3-methylbutyl)-5Show More⌵

Mol. Formula:
C25H36N6O6

M.W.:
516.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
192.66

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3736337

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-(trifluoromethyl)benzamidoShow More⌵

Mol. Formula:
C24H31F3N6O5

M.W.:
540.54

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3735586

Name:
(S)-5-guanidino-2-(5-methyl-2-((S)-3-methyl-1-(4-methylpentanamido)butyl)oxShow More⌵

Mol. Formula:
C22H38N6O5

M.W.:
466.58

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3734935

Name:
(S)-2-(2-((S)-1-(3,3-dimethylbutanamido)-3-methylbutyl)-5-methyloxazole-4-cShow More⌵

Mol. Formula:
C22H38N6O5

M.W.:
466.58

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3736394

Name:
(S)-2-(2-((S)-1-(2-cyclohexylacetamido)-3-methylbutyl)-5-methyloxazole-4-caShow More⌵

Mol. Formula:
C24H40N6O5

M.W.:
492.62

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3735150

Name:
(S)-2-(2-((S)-1-(cyclohexanecarboxamido)-3-methylbutyl)-5-methyloxazole-4-cShow More⌵

Mol. Formula:
C23H38N6O5

M.W.:
478.59

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
183.43

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS