Compounds

ALA5267414

Name:
2-chloro-1-(3-(5-chloro-2-fluorophenyl)-4-phenyl-5-(quinoxalin-6-yl)-4,5-diShow More⌵

Mol. Formula:
C25H17Cl2FN4O

M.W.:
479.34

Type:
---

AlogP:
5.73

Polar Surface Area:
58.45

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5267356

Name:
(5S,8S,11S)-ethyl 5-((R)-1-(tert-butoxy)ethyl)-8-isobutyl-3,6,9-trioxo-11-(Show More⌵

Mol. Formula:
C33H50N4O8

M.W.:
630.78

Type:
---

AlogP:
3.15

Polar Surface Area:
161.16

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5267069

Name:
(1S,3aR,6aS)-2-(3-(3,5-difluorophenyl)propanoyl)-N-((S)-1-oxo-3-((S)-2-oxopShow More⌵

Mol. Formula:
C24H29F2N3O4

M.W.:
461.51

Type:
---

AlogP:
1.73

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5266964

Name:
(1R,2S,5S)-N-((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-3-((S)-2-(cyclShow More⌵

Mol. Formula:
C24H37N5O5S

M.W.:
507.66

Type:
---

AlogP:
0.50

Polar Surface Area:
148.47

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5266928

Name:
3-phenyl-N-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)propShow More⌵

Mol. Formula:
C19H16F3N3O2

M.W.:
375.35

Type:
---

AlogP:
4.00

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5266355

Name:
2-(furan-2-ylmethyl)benzo[d][1,2]selenazol-3(2H)-one

Mol. Formula:
C12H9NO2Se

M.W.:
278.17

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5220933

Name:
Benzyl (1R,3s,5S)-3-((((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrroliShow More⌵

Mol. Formula:
C29H40N4O7

M.W.:
556.66

2 activity values

2 unique targets

Type:
---

AlogP:
2.67

Polar Surface Area:
143.14

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5220835

Name:
((1R,3s,5S)-Bicyclo[3.3.1]nonan-3-yl)methyl ((S)-4-Methyl-1-oxo-1-(((S)-1-oShow More⌵

Mol. Formula:
C24H39N3O5

M.W.:
449.59

4 activity values

4 unique targets

Type:
---

AlogP:
2.55

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5220774

Name:
tert-Butyl (1R,3s,5S)-3-((((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrShow More⌵

Mol. Formula:
C26H42N4O7

M.W.:
522.64

2 activity values

2 unique targets

Type:
---

AlogP:
2.27

Polar Surface Area:
143.14

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5220641

Name:
(2S)-1-Hydroxy-2-((S)-2-(((((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)methoxy-dShow More⌵

Mol. Formula:
C25H40N3NaO9S

M.W.:
583.68

2 activity values

2 unique targets

Type:
---

AlogP:
0.68

Polar Surface Area:
191.36

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5220574

Name:
((3S,5S,7S)-Adamantan-1-yl)methyl-d2 ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((Show More⌵

Mol. Formula:
C25H39N3O5

M.W.:
463.62

2 activity values

2 unique targets

Type:
---

AlogP:
2.55

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5220572

Name:
((1S,3S,5R)-Bicyclo[3.3.1]non-6-en-3-yl)methyl-d2 ((S)-4-methyl-1-oxo-1-(((Show More⌵

Mol. Formula:
C24H37N3O5

M.W.:
449.59

2 activity values

2 unique targets

Type:
---

AlogP:
2.33

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5220472

Name:
(2S)-2-((2S)-2-(((((1S,5R)-Bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amiShow More⌵

Mol. Formula:
C24H38N3NaO8S

M.W.:
551.64

2 activity values

2 unique targets

Type:
---

AlogP:
1.34

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5220471

Name:
(2S)-2-((S)-2-(((((3S,5S,7S)-Adamantan-1-yl)-methoxy-d2)carbonyl)amino)-4-mShow More⌵

Mol. Formula:
C25H40N3NaO8S

M.W.:
567.68

2 activity values

2 unique targets

Type:
---

AlogP:
1.56

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5220452

Name:
2-((3S,5S,7S)-Adamantan-1-yl)ethyl ((S)-4-Methyl-1-oxo-1-(((S)-1-oxo-3-((S)Show More⌵

Mol. Formula:
C26H41N3O5

M.W.:
475.63

2 activity values

2 unique targets

Type:
---

AlogP:
2.94

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5220377

Name:
((1r,3R,5R,7S)-3-Hydroxyadamantan-1-yl)methyl ((S)-4-Methyl-1-oxo-1-(((S)-1Show More⌵

Mol. Formula:
C25H39N3O6

M.W.:
477.60

2 activity values

2 unique targets

Type:
---

AlogP:
1.67

Polar Surface Area:
133.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5220285

Name:
(2S)-2-((S)-2-(((((1S,3S,5R)-Bicyclo[3.3.1]non-6-en-3-yl)methoxy-d2)carbonyShow More⌵

Mol. Formula:
C24H38N3NaO8S

M.W.:
553.65

2 activity values

2 unique targets

Type:
---

AlogP:
1.34

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5220196

Name:
(2S)-2-((S)-2-(((2-((3S,5S,7S)-Adamantan-1-yl)-ethoxy)carbonyl)amino)-4-metShow More⌵

Mol. Formula:
C26H42N3NaO8S

M.W.:
579.69

2 activity values

2 unique targets

Type:
---

AlogP:
1.95

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5220147

Name:
(2S)-2-((S)-2-(((((1R,3s,5S)-8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octShow More⌵

Mol. Formula:
C26H43N4NaO10S

M.W.:
626.71

2 activity values

2 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
200.67

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5220123

Name:
(2S)-2-((S)-2-(((((3S,5S,7S)-Adamantan-1-yl)-methoxy)carbonyl)amino)-4-methShow More⌵

Mol. Formula:
C25H40N3NaO8S

M.W.:
565.67

3 activity values

3 unique targets

Type:
---

AlogP:
1.56

Polar Surface Area:
171.13

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS