Compounds

ALA5272649

Name:
tert-butyl 4-(4-((4-(2-(Benzyloxy)-4-fluorophenyl)pyrimidin-2-yl)amino)benzShow More⌵

Mol. Formula:
C33H34FN5O4

M.W.:
583.66

Type:
---

AlogP:
6.30

Polar Surface Area:
96.89

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5272508

Name:
5-(naphthalen-1-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole

Mol. Formula:
C22H21NO4

M.W.:
363.41

Type:
---

AlogP:
4.73

Polar Surface Area:
49.28

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5272362

Name:
Quinostatin

Mol. Formula:
C26H27N3O4

M.W.:
445.52

Type:
---

AlogP:
3.50

Polar Surface Area:
94.75

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272360

Name:
6-(benzo[b]thiophen-2-yl)-N4-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Mol. Formula:
C21H20N4O3S

M.W.:
408.48

Type:
---

AlogP:
4.71

Polar Surface Area:
91.52

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5272317

Name:
ethyl 3-amino-4-oxo-2-phenacylsulfanyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4Show More⌵

Mol. Formula:
C20H20N4O4S2

M.W.:
444.54

Type:
---

AlogP:
2.66

Polar Surface Area:
107.52

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5272142

Name:
{1-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl (2E)-2,3-biShow More⌵

Mol. Formula:
C31H31N3O7

M.W.:
557.60

Type:
---

AlogP:
4.79

Polar Surface Area:
111.00

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5272032

Name:
3'-(4-chloro-2-hydroxyphenyl)-4'-(morpholine-4-carbonyl)-1'-(piperidine-1-cShow More⌵

Mol. Formula:
C28H31ClN4O5

M.W.:
539.03

Type:
---

AlogP:
3.37

Polar Surface Area:
102.42

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5271957

Name:

Mol. Formula:
C37H36N2O16

M.W.:
764.69

Type:
---

AlogP:
2.22

Polar Surface Area:
220.38

HBA:
18

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5271726

Name:
6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N4-(3,4,5-trimethoxyphenyl)pyrimidiShow More⌵

Mol. Formula:
C21H22N4O5

M.W.:
410.43

Type:
---

AlogP:
3.27

Polar Surface Area:
109.98

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5271693

Name:
[(3S,5R,8R,9R,10R,12R,13R,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(Show More⌵

Mol. Formula:
C43H59N3O5S

M.W.:
730.03

Type:
---

AlogP:
8.71

Polar Surface Area:
125.30

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5271583

Name:
N-(2-(Dimethylamino)ethyl)-4-((4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl)aShow More⌵

Mol. Formula:
C22H24FN5O2

M.W.:
409.47

Type:
---

AlogP:
3.33

Polar Surface Area:
79.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271496

Name:
5-(benzofuran-5-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole

Mol. Formula:
C20H20N2O4

M.W.:
352.39

Type:
---

AlogP:
3.90

Polar Surface Area:
65.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5271486

Name:
linadiacin B

Mol. Formula:
C24H20O10

M.W.:
468.41

Type:
---

AlogP:
3.47

Polar Surface Area:
137.82

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271390

Name:
(1-benzyl-1H-1,2,3-triazol-4-yl)methyl (2E)-2,3-bis(3,4-dimethoxyphenyl)proShow More⌵

Mol. Formula:
C29H29N3O6

M.W.:
515.57

Type:
---

AlogP:
4.64

Polar Surface Area:
93.93

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5271315

Name:
[(3S,5R,8R,9S,10R,12R,13R,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(Show More⌵

Mol. Formula:
C44H61N3O5S

M.W.:
744.06

Type:
---

AlogP:
9.01

Polar Surface Area:
125.30

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5271158

Name:
(2R,3R,4R,5R)-5-(5-((4-bromo-3-fluorophenyl)ethynyl)-4-methyl-7H-pyrrolo[2,Show More⌵

Mol. Formula:
C21H18BrF2N3O3

M.W.:
478.29

Type:
---

AlogP:
3.02

Polar Surface Area:
80.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271076

Name:
Trichorzin C

Mol. Formula:
C86H144N20O22

M.W.:
1810.22

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270954

Name:
diethyl (4-(2-(4-isobutylphenyl)propanamido)butyl) phosphate

Mol. Formula:
C21H36NO5P

M.W.:
413.50

Type:
---

AlogP:
5.08

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5270774

Name:
(4-((4-(2-(Benzyloxy)-4-fluorophenyl)pyrimidin-2-yl)amino)phenyl)(4-methylpShow More⌵

Mol. Formula:
C29H28FN5O2

M.W.:
497.57

Type:
---

AlogP:
4.99

Polar Surface Area:
70.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5270772

Name:
6-(4-morpholinobenzylidene)-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-one

Mol. Formula:
C21H19NO4

M.W.:
349.39

Type:
---

AlogP:
3.07

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS