Compounds

ALA5272713

Name:
8-(1-Benzyl-1H-benzo[d]imidazole-6-yl)-6-(m-tolyl)imidazo[1,2-a]pyrazine

Mol. Formula:
C27H21N5

M.W.:
415.50

Type:
---

AlogP:
5.77

Polar Surface Area:
48.01

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272578

Name:
2-(3-(4-(benzo[d]thiazol-2-yl)piperazin-1-yl)phenyl)chroman-4-one

Mol. Formula:
C26H23N3O2S

M.W.:
441.56

Type:
---

AlogP:
5.33

Polar Surface Area:
45.67

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272540

Name:
carboxymethyl-dodecyl-dimethyl-ammonium benzoate

Mol. Formula:
C23H39NO4

M.W.:
393.57

Type:
---

AlogP:
4.07

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272514

Name:
2-(2-Nitro-8-oxoimidazo[1,2-a]pyrazin-7(8H)-yl)-N-phenylacetamide

Mol. Formula:
C14H11N5O4

M.W.:
313.27

Type:
---

AlogP:
1.04

Polar Surface Area:
111.54

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272460

Name:
1-((3R,5R)-7-(((1-((2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymetShow More⌵

Mol. Formula:
C44H52FN7O9

M.W.:
841.94

Type:
---

AlogP:
3.25

Polar Surface Area:
233.32

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5272421

Name:
1-Benzyl-4-((ethyl(4-fluorophenyl)amino)methyl)-6-methylpyridin-2(1H)-one

Mol. Formula:
C22H23FN2O

M.W.:
350.44

Type:
---

AlogP:
4.37

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5272401

Name:
4-(8-(1-Cyclohexyl-1H-benzo[d]imidazole-6-yl)imidazo[1,2-a]pyrazin-6-yl)benShow More⌵

Mol. Formula:
C26H23N5O

M.W.:
421.50

Type:
---

AlogP:
5.73

Polar Surface Area:
65.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5272319

Name:
Ethyl 2-(3-ethoxy-4-(2-morpholino-2-oxoethoxy)phenyl)acetate

Mol. Formula:
C18H25NO6

M.W.:
351.40

Type:
---

AlogP:
1.43

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5272286

Name:
(1S,2S)-2-((4-((Ethyl(4-fluorophenyl)amino)methyl)-6-methyl-2-oxopyridin-1(Show More⌵

Mol. Formula:
C20H22FN3O

M.W.:
339.41

Type:
---

AlogP:
3.48

Polar Surface Area:
49.03

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5272257

Name:
7-(2-hydroxy-4-methoxyphenyl)chromeno[3',4':5,6]pyrano[3,2-d]pyrimidine-6,9Show More⌵

Mol. Formula:
C21H14N2O7

M.W.:
406.35

Type:
---

AlogP:
2.17

Polar Surface Area:
134.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5272230

Name:
propyl 2-(3-ethoxy-4-(2-oxo-2-(piperazin-1-yl)ethoxy)phenyl)acetate

Mol. Formula:
C19H28N2O5

M.W.:
364.44

Type:
---

AlogP:
1.39

Polar Surface Area:
77.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272225

Name:
2-(tert-butylamino)-2-oxoethyl 2-chloro-6-methylbenzoate

Mol. Formula:
C14H18ClNO3

M.W.:
283.75

Type:
---

AlogP:
2.72

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA5272212

Name:
(4-bromo-2,5-dihydroxyphenyl)(3,4-dihydroxyphenyl)methanone

Mol. Formula:
C13H9BrO5

M.W.:
325.11

Type:
---

AlogP:
2.50

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5272156

Name:
1-((((S)-4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-3-methylpiperazin-1-yShow More⌵

Mol. Formula:
C21H35F4N3O3S

M.W.:
485.59

Type:
---

AlogP:
2.35

Polar Surface Area:
72.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272155

Name:
1-(4-(4-(2-([1,1'-Biphenyl]-4-yl)ethyl)thiazol-2-yl)-3-(2-(2-oxoimidazolidiShow More⌵

Mol. Formula:
C37H39F6N7O7S2

M.W.:
871.88

Type:
---

AlogP:
4.57

Polar Surface Area:
102.18

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5272114

Name:
1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl pivalate

Mol. Formula:
C14H27NO3

M.W.:
257.37

Type:
---

AlogP:
2.52

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5272105

Name:
1-(Cyclobutylmethyl)-4-((ethyl(4-fluorophenyl)amino)methyl)-6-methylpyridinShow More⌵

Mol. Formula:
C20H25FN2O

M.W.:
328.43

Type:
---

AlogP:
4.12

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5272020

Name:
2-Nitro-7-((5-(p-tolyl)pyridin-3-yl)methyl)imidazo[1,2-a]pyrazin-8(7H)-one

Mol. Formula:
C19H15N5O3

M.W.:
361.36

Type:
---

AlogP:
2.82

Polar Surface Area:
95.33

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271938

Name:
3,5-bis(trifluoromethyl)phenyl propiolate

Mol. Formula:
C11H4F6O2

M.W.:
282.14

Type:
---

AlogP:
3.26

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5271729

Name:
2-cyclopropyl-1-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-1H-pyrrolo[2,3-b]pyShow More⌵

Mol. Formula:
C18H23N5O2

M.W.:
341.42

Type:
---

AlogP:
0.79

Polar Surface Area:
84.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS