Compounds

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4568483

Name:
9-(5-fluoropyridin-2-yl)-2-(methoxymethyl)-5-methyl-5,6-dihydrobenzo[c]pyraShow More⌵

Mol. Formula:
C19H17FN4O2

M.W.:
352.37

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4559100

Name:
9-(6-fluoropyridin-3-yl)-5-methylspiro[benzo[f]pyrrolo[1,2-a][1,4]diazepineShow More⌵

Mol. Formula:
C21H18FN3O

M.W.:
347.39

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4532011

Name:
9-(6-fluoropyridin-3-yl)-2-(methoxymethyl)-5-methyl-2H-spiro[benzo[c]pyrazoShow More⌵

Mol. Formula:
C21H19FN4O2

M.W.:
378.41

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4530783

Name:
10-(6-fluoropyridin-3-yl)-3-methoxy-6-methylspiro[benzo[c]pyrido[3,2-e]azepShow More⌵

Mol. Formula:
C22H18FN3O2

M.W.:
375.40

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
55.32

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4476013

Name:
10-(5-fluoropyridin-2-yl)-6-methylspiro[benzo[c]pyrido[3,2-e]azepine-7,1'-cShow More⌵

Mol. Formula:
C21H16FN3O

M.W.:
345.38

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
46.09

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4463351

Name:
10-(6-fluoropyridin-3-yl)-3-methoxy-6-methyl-6,7-dihydro-5H-benzo[c]pyrido[Show More⌵

Mol. Formula:
C20H16FN3O2

M.W.:
349.37

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
55.32

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4451213

Name:
10-(6-fluoropyridin-3-yl)-6-methylspiro[benzo[c]pyrido[3,2-e]azepine-7,1'-cShow More⌵

Mol. Formula:
C21H16FN3O

M.W.:
345.38

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
46.09

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3979475

Name:
(1S,2R,3S,4R,5R,6R)-2-amino-3-(2,5-dichlorobenzyloxy)-4-hydroxybicyclo[3.1.Show More⌵

Mol. Formula:
C15H15Cl2NO6

M.W.:
376.19

Type:
Small molecule

AlogP:
0.98

Polar Surface Area:
130.08

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3977508

Name:
(1R,2R,3S,4S,5R,6R)-4-(1H-imidazol-2-ylthio)-2-amino-3-(3,4-dichlorobenzyloShow More⌵

Mol. Formula:
C18H17Cl2N3O5S

M.W.:
458.32

11 activity values

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
138.53

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3971347

Name:
(1S,2R,3S,4R,5R,6R)-2-amino-3-(4-chlorobenzyloxy)-4-hydroxybicyclo[3.1.0]heShow More⌵

Mol. Formula:
C15H16ClNO6

M.W.:
341.75

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
130.08

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3969063

Name:
(1R,2R,3S,4S,5R,6R)-4-(1H-1,2,4-triazol-3-ylthio)-2-amino-3-(3,4-dichlorobeShow More⌵

Mol. Formula:
C17H16Cl2N4O5S

M.W.:
459.31

13 activity values

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
151.42

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3961306

Name:
(1R,2R,3S,4S,5R,6R)-2-amino-3-(3,4-dichlorobenzyloxy)-4-fluorobicyclo[3.1.0Show More⌵

Mol. Formula:
C15H14Cl2FNO5

M.W.:
378.18

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
109.85

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3955458

Name:
(1S,2R,3S,4R,5R,6R)-2-amino-3-(benzyloxy)-4-hydroxybicyclo[3.1.0]hexane-2,6Show More⌵

Mol. Formula:
C15H17NO6

M.W.:
307.30

Type:
Small molecule

AlogP:
-0.32

Polar Surface Area:
130.08

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3953570

Name:
(1S,2R,3S,4R,5R,6R)-2-amino-3-(3-chlorobenzyloxy)-4-hydroxybicyclo[3.1.0]heShow More⌵

Mol. Formula:
C15H16ClNO6

M.W.:
341.75

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
130.08

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3948272

Name:
(1R,2R,3S,4S,5R,6R)-2-amino-3-(3,4-dichlorobenzyloxy)-4-(1-methyl-1H-1,2,4-Show More⌵

Mol. Formula:
C18H18Cl2N4O5S

M.W.:
473.34

11 activity values

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
140.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3947221

Name:
(1S,2R,3S,4S,5R,6R)-2-amino-3-(3,4-dichlorobenzyloxy)-4-hydroxybicyclo[3.1.Show More⌵

Mol. Formula:
C15H15Cl2NO6

M.W.:
376.19

85 activity values

25 unique targets

Type:
Small molecule

AlogP:
0.98

Polar Surface Area:
130.08

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3939492

Name:
(1S,2R,3R,4S,5R,6S)-2-amino-3-(3,4-dichlorobenzyloxy)-4-(methoxycarbonylamiShow More⌵

Mol. Formula:
C17H18Cl2N2O7

M.W.:
433.24

11 activity values

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
148.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3933829

Name:
(1S,2R,3R,4S,5R,6S)-2-amino-4-azido-3-(3,4-dichlorobenzyloxy)bicyclo[3.1.0]Show More⌵

Mol. Formula:
C15H14Cl2N4O5

M.W.:
401.21

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
158.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3930511

Name:
(1S,2R,3R,4S,5R,6S)-2,4-diamino-3-(3,4-dichlorobenzyloxy)bicyclo[3.1.0]hexaShow More⌵

Mol. Formula:
C15H16Cl2N2O5

M.W.:
375.21