Compounds

ALA5267630

Name:
(S,E)-8-(2-(4-((3-(2,5-difluorophenyl)allyl)amino)-2-oxabicyclo[2.2.2]octanShow More⌵

Mol. Formula:
C28H30F3N3O4

M.W.:
529.56

Type:
---

AlogP:
3.09

Polar Surface Area:
96.61

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5267572

Name:
N-((4-((3,4-dimethoxybenzylidene)amino)-5-mercapto-4H-1,2,4-triazol-3-yl)meShow More⌵

Mol. Formula:
C20H21N5O3S

M.W.:
411.49

Type:
---

AlogP:
2.70

Polar Surface Area:
90.63

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5267566

Name:
Fluviol C

Mol. Formula:
C6H7N5O2

M.W.:
181.16

Type:
---

AlogP:
-0.76

Polar Surface Area:
74.95

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5267556

Name:
(2S)-2-(4-methoxyphenyl)-2-((6R)-3-methyl-2-methylene-6-((3S,4S,5S,9R,10S,1Show More⌵

Mol. Formula:
C38H55NO8S

M.W.:
685.92

Type:
---

AlogP:
7.70

Polar Surface Area:
139.23

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5267549

Name:
Berkeleylactone E methyl ester

Mol. Formula:
C21H34O7

M.W.:
398.50

Type:
---

AlogP:
3.22

Polar Surface Area:
99.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5267537

Name:
5-(7-methoxy-2-oxo-2H-chromen-4-yl)-1,2,4-triazolidin-3-one

Mol. Formula:
C12H11N3O4

M.W.:
261.24

Type:
---

AlogP:
0.62

Polar Surface Area:
92.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5267504

Name:
(3,5-dichloro-2-hydroxyphenyl)(3-(trifluoromethyl)-1H-pyrazol-5-yl)methanonShow More⌵

Mol. Formula:
C11H5Cl2F3N2O2

M.W.:
325.07

Type:
---

AlogP:
3.67

Polar Surface Area:
65.98

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5267459

Name:
trifluoromethyl 4-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)-6-etShow More⌵

Mol. Formula:
C21H16F3N3O5

M.W.:
447.37

Type:
---

AlogP:
2.84

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5267455

Name:
2-[2-allyl-6-(4-propanoylphenoxy)phenoxy]ethyl-dimethyl-[2-oxo-2-(propylamiShow More⌵

Mol. Formula:
C27H37BrN2O4

M.W.:
533.51

Type:
---

AlogP:
4.78

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5267439

Name:
N-(4-((5-Guanidinopentyl)oxy)-3-methoxybenzyl)nonanamide

Mol. Formula:
C23H40N4O3

M.W.:
420.60

Type:
---

AlogP:
4.09

Polar Surface Area:
109.46

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5267396

Name:
2-(chloromethyl)-14-methyl-13H,14H-chromeno[3',4':5,6]pyrano[3,2-e][1,2,4]tShow More⌵

Mol. Formula:
C17H11ClN4O3

M.W.:
354.75

Type:
---

AlogP:
3.23

Polar Surface Area:
82.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5267346

Name:
7-(4-((6-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)piperazin-1-yl)-6-fShow More⌵

Mol. Formula:
C29H22ClF2N5O4

M.W.:
577.98

Type:
---

AlogP:
4.18

Polar Surface Area:
111.53

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5267303

Name:
7-((1-benzyl-1H-1,2,3-triazol-5-yl)methoxy)-8-cinnamoyl-4-methyl-2H-chromenShow More⌵

Mol. Formula:
C29H23N3O4

M.W.:
477.52

Type:
---

AlogP:
5.22

Polar Surface Area:
87.22

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5267302

Name:
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,3,4,5-tetrafluorophenyl)urea

Mol. Formula:
C14H6ClF7N2O

M.W.:
386.65

Type:
---

AlogP:
5.56

Polar Surface Area:
41.13

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5267279

Name:
Riboflavin

Mol. Formula:
C17H22N4O5

M.W.:
362.39

Type:
---

AlogP:
-0.53

Polar Surface Area:
134.49

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5267278

Name:
N-(3-(1H-imidazol-1-yl)propyl)-N-(6-chloro-4-methylbenzo[d]thiazol-2-yl)tetShow More⌵

Mol. Formula:
C19H21ClN4O2S

M.W.:
404.92

Type:
---

AlogP:
4.06

Polar Surface Area:
60.25

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5267247

Name:
2-(2-(2,6-difluorophenyl)hydrazineylidene)-3-(5-methylisoxazol-3-yl)-3-oxopShow More⌵

Mol. Formula:
C13H9F2N3O4

M.W.:
309.23

Type:
---

AlogP:
2.00

Polar Surface Area:
104.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5267230

Name:
4-[2-allyl-6-(4-propanoylphenoxy)phenoxy]butyl-dimethyl-(2-oxo-2-pyrrolidinShow More⌵

Mol. Formula:
C30H41BrN2O4

M.W.:
573.57

Type:
---

AlogP:
5.66

Polar Surface Area:
55.84

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5267220

Name:
8-chloro-10,11-dihydrodibenzo[b,f]oxepine-2,3,4-triol

Mol. Formula:
C14H11ClO4

M.W.:
278.69

Type:
---

AlogP:
3.35

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5267178

Name:
4-[2-allyl-6-(4-propanoylphenoxy)phenoxy]butyl-dimethyl-(2-morpholino-2-oxoShow More⌵

Mol. Formula:
C30H41BrN2O5

M.W.:
589.57

Type:
---

AlogP:
4.89

Polar Surface Area:
65.07

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS