Compounds

ALA5267679

Name:

Mol. Formula:
C49H55FN4O6

M.W.:
815.00

Type:
---

AlogP:
6.90

Polar Surface Area:
100.65

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5267580

Name:
3-heptyl-2-methyl-4-oxo-1,4-dihydroquinoline-7-carbonitrile

Mol. Formula:
C18H22N2O

M.W.:
282.39

Type:
---

AlogP:
4.22

Polar Surface Area:
56.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5267570

Name:
(1r,3r,5r,7r)-1''-(4,6-dimorpholino-1,3,5-triazin-2-yl)dispiro[adamantane-2Show More⌵

Mol. Formula:
C26H38N6O6

M.W.:
530.63

Type:
---

AlogP:
1.90

Polar Surface Area:
103.77

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5267563

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

Mol. Formula:
C24H25F3N6O

M.W.:
470.50

Type:
---

AlogP:
4.76

Polar Surface Area:
72.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5267539

Name:
(3R,3'R,5aS,5a'S,6R,6'R,8aS,8a'S,9R,9'R,12S,12aR,12'S,12a'R)-10,10'-(2-methShow More⌵

Mol. Formula:
C34H52O8

M.W.:
588.78

Type:
---

AlogP:
6.82

Polar Surface Area:
73.84

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5267481

Name:
3-(3-(ethoxycarbonyl)-6-fluoro-4-oxoquinolin-1(4H)-yl)-2-(pyridin-3-yl)acryShow More⌵

Mol. Formula:
C20H15FN2O5

M.W.:
382.35

Type:
---

AlogP:
2.80

Polar Surface Area:
98.49

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5267477

Name:
3-tosyl-7,8,15,16-tetraoxa-3-azadispiro[5.2.5.2]hexadecane

Mol. Formula:
C18H25NO6S

M.W.:
383.47

Type:
---

AlogP:
3.05

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5267450

Name:

Mol. Formula:
C22H26O5

M.W.:
370.45

Type:
---

AlogP:
4.39

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5267432

Name:
2-[(N-ethylanilino)methyl]-4-[6-(2-hydroxyphenyl)-3-methyl-1,2,4,5-tetraoxaShow More⌵

Mol. Formula:
C24H25NO6

M.W.:
423.47

Type:
---

AlogP:
4.91

Polar Surface Area:
80.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5267375

Name:
3-(methylsulfonyl)-7,8,15,16-tetraoxa-3-azadispiro[5.2.5.2]hexadecane

Mol. Formula:
C12H21NO6S

M.W.:
307.37

Type:
---

AlogP:
1.31

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5267344

Name:
6-((1-(3-((7-chloroquinolin-4-yl)amino)propyl)-1H-1,2,3-triazol-4-yl)methoxShow More⌵

Mol. Formula:
C28H31ClN10O

M.W.:
559.08

Type:
---

AlogP:
5.17

Polar Surface Area:
118.80

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5267334

Name:
1,4-bis(2-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epShow More⌵

Mol. Formula:
C40H54O8

M.W.:
662.86

Type:
---

AlogP:
8.21

Polar Surface Area:
73.84

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5267329

Name:
(5R,7R,8S)-methyl 7-((benzylcarbamoyl)oxy)-3,4-dimethoxy-5-methyl-8-((S)-6-Show More⌵

Mol. Formula:
C31H41NO6

M.W.:
523.67

Type:
---

AlogP:
6.76

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5267202

Name:
1-(3-ethoxy-3-oxo-2-(pyridin-2-yl)prop-1-en-1-yl)-6-fluoro-4-oxo-1,4-dihydrShow More⌵

Mol. Formula:
C20H15FN2O5

M.W.:
382.35

Type:
---

AlogP:
2.80

Polar Surface Area:
98.49

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5267185

Name:
(4-(2-(4-(1-methyl-1H-benzo[d]imidazol-2-ylamino)piperidin-1-yl)ethyl)phenyShow More⌵

Mol. Formula:
C26H34N6O

M.W.:
446.60

Type:
---

AlogP:
2.74

Polar Surface Area:
65.43

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5267153

Name:
(5R,7R,8S)-methyl 3,4-dimethoxy-5-methyl-8-((S)-6-methylhept-5-en-2-yl)-7-(Show More⌵

Mol. Formula:
C31H41NO6

M.W.:
523.67

Type:
---

AlogP:
7.39

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5267133

Name:
3-(4-fluorophenyl)-1-(3-methyl-1-phenyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazoShow More⌵

Mol. Formula:
C29H20FN7

M.W.:
485.53

Type:
---

AlogP:
6.04

Polar Surface Area:
65.83

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5267129

Name:
(5R,7R,8S)-methyl 3,4-dimethoxy-5-methyl-8-((S)-6-methylhept-5-en-2-yl)-7-(Show More⌵

Mol. Formula:
C30H39NO6

M.W.:
509.64

Type:
---

AlogP:
7.08

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5267094

Name:
6-(4-bromophenyl)-4-(3,4-difluorophenyl)-2-(1H-indol-3-yl)pyridine-3-carbonShow More⌵

Mol. Formula:
C26H14BrF2N3

M.W.:
486.32

Type:
---

AlogP:
7.48

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5266910

Name:
3-ethyl-3-methyl-9-(propylsulfonyl)-1,2,4,5-tetraoxa-9-azaspiro[5.5]undecanShow More⌵

Mol. Formula:
C12H23NO6S

M.W.:
309.38

Type:
---

AlogP:
1.55

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS