Compounds

Type:
---

AlogP:
4.83

Polar Surface Area:
56.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5205373

Name:
6-(2-(indolin-1-yl)-2-oxoethyl)-2-oxo-8-propyl-4-(p-tolyl)-1,2,5,6,7,8-hexaShow More⌵

Mol. Formula:
C29H30N4O2

M.W.:
466.59

Type:
---

AlogP:
4.51

Polar Surface Area:
80.20

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5200754

Name:
rac-4-(3-ethyl-1,2-oxazol-5-yl)-2-oxo-8-propyl-1,2,5,6,7,8-hexahydro-1,6-naShow More⌵

Mol. Formula:
C17H21ClN4O2

M.W.:
348.83

Type:
---

AlogP:
2.45

Polar Surface Area:
94.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5200395

Name:
ent-4-(4-methylphenyl)-2-oxo-8-propyl-1,2,5,6,7,8-hexahydro-1,6-naphthyridiShow More⌵

Mol. Formula:
C19H22ClN3O

M.W.:
343.86

25 activity values

12 unique targets

Type:
---

AlogP:
3.21

Polar Surface Area:
68.68

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5306577

Name:
BAY_7081

Mol. Formula:
C19H26N4O

M.W.:
326.44

Type:
---

AlogP:
2.61

Polar Surface Area:
71.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5207692

Name:
rac-4-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-8-propyl-1,2,5,6,7,8-hexahydrShow More⌵

Mol. Formula:
C20H29ClN4O2

M.W.:
392.93

Type:
---

AlogP:
2.24

Polar Surface Area:
81.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5206771

Name:
rac-2-oxo-4-(piperidin-1-yl)-8-propyl-1,2,5,6,7,8-hexahydro-1,6-naphthyridiShow More⌵

Mol. Formula:
C18H26N4O

M.W.:
314.43

Type:
---

AlogP:
2.47

Polar Surface Area:
71.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5194476

Name:
rac-2-oxo-8-propyl-4-(pyridin-4-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridineShow More⌵

Mol. Formula:
C17H20Cl2N4O

M.W.:
367.28

Type:
---

AlogP:
2.30

Polar Surface Area:
81.57

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5192598

Name:
rac-4-(4-cyanopiperidin-1-yl)-2-oxo-8-propyl-1,2,5,6,7,8-hexahydro-1,6-naphShow More⌵

Mol. Formula:
C18H24ClN5O

M.W.:
361.88

Type:
---

AlogP:
1.97

Polar Surface Area:
95.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5189429

Name:
ent-4-(4-methylphenyl)-2-oxo-8-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carbShow More⌵

Mol. Formula:
C20H22N2O

M.W.:
306.41

11 activity values

3 unique targets

Type:
---

AlogP:
4.44

Polar Surface Area:
56.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5188899

Name:
ent-8-isopropyl-4-(4-methylphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-cShow More⌵

Mol. Formula:
C20H22N2O

M.W.:
306.41

Type:
---

AlogP:
4.30

Polar Surface Area:
56.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5187864

Name:
ent-4-(4-methylphenyl)-2-oxo-8-(2,2,2-trifluoroethyl)-1,2,5,6,7,8-hexahydroShow More⌵

Mol. Formula:
C19H17F3N2O

M.W.:
346.35

Type:
---

AlogP:
4.59

Polar Surface Area:
56.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5186852

Name:
ent-4-(7-azaspiro[3.5]nonan-7-yl)-2-oxo-8-propyl-1,2,5,6,7,8-hexahydro-1,6-Show More⌵

Mol. Formula:
C20H29ClN4O

M.W.:
376.93