Compounds

ALA5267641

Name:
ethyl 2-(3-ethoxy-4-(2-oxo-2-(pyrrolidin-1-yl)ethoxy)phenyl)acetate

Mol. Formula:
C18H25NO5

M.W.:
335.40

Type:
---

AlogP:
2.19

Polar Surface Area:
65.07

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5267551

Name:
bis(4-methoxyphenyl) ((3-bromophenyl)(hydroxy)methylene)bis(hydrogen phosphShow More⌵

Mol. Formula:
C21H21BrO9P2

M.W.:
559.24

Type:
---

AlogP:
5.10

Polar Surface Area:
131.75

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5267494

Name:
Hydrogen (1-hydroxy-1-phosphono-4-tetradecanamidobutyl)phosphonate Sodium

Mol. Formula:
C18H38NNaO8P2

M.W.:
481.44

Type:
---

AlogP:
3.59

Polar Surface Area:
164.39

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5267426

Name:
((2-acetoxybenzoyl)oxy)methyl 3-((3-aminopropanoyl)oxy)-4-(3-(nitrooxy)propShow More⌵

Mol. Formula:
C23H24N2O12

M.W.:
520.45

Type:
---

AlogP:
1.81

Polar Surface Area:
192.82

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5267420

Name:
(1S,2R)-1-((2R,4S)-2-benzyl-5-((S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmShow More⌵

Mol. Formula:
C47H65N5O11

M.W.:
876.06

Type:
---

AlogP:
1.40

Polar Surface Area:
223.48

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5267368

Name:
(E)-1-(7-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-(2-(4-methylbenzoyl)benzofShow More⌵

Mol. Formula:
C30H24O5

M.W.:
464.52

Type:
---

AlogP:
6.76

Polar Surface Area:
76.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5267363

Name:
2-((2-methoxybenzyl)oxy)-2-methyl-4H-benzo[d][1,3]dioxin-4-one

Mol. Formula:
C17H16O5

M.W.:
300.31

Type:
---

AlogP:
3.13

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5267305

Name:
4-(((2-((6-methoxy-2-oxo-2H-chromen-4-yl)methoxy)naphthalen-1-yl)methylene)Show More⌵

Mol. Formula:
C33H27N3O5

M.W.:
545.60

Type:
---

AlogP:
6.08

Polar Surface Area:
87.96

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5267294

Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,36S,39S,48S)-6,12,39-tris((1H-indol-3Show More⌵

Mol. Formula:
C130H168N32O30

M.W.:
2658.97

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5267236

Name:
7-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(4-fluorobenzylidene)-4,6-dimShow More⌵

Mol. Formula:
C29H26FNO4

M.W.:
471.53

Type:
---

AlogP:
5.75

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5267192

Name:
2-[(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2,4-dioxo-1,3-thiazolShow More⌵

Mol. Formula:
C21H15N3O4S

M.W.:
405.44

Type:
---

AlogP:
3.66

Polar Surface Area:
92.50

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5267100

Name:
2-(4-nitrophenyl)-1,3-oxathiolane

Mol. Formula:
C9H9NO3S

M.W.:
211.24

Type:
---

AlogP:
2.36

Polar Surface Area:
52.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5266998

Name:
rac-Trans-2-((4-((Ethyl(4-fluorophenyl)amino)methyl)-6-methyl-2-oxopyridin-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

ALA5266997

Name:
5-(N-((2R,3S)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyShow More⌵

Mol. Formula:
C28H36BN2O11S-

M.W.:
619.48

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5266947

Name:
(E)-1-(5-hydroxy-2,2,8,8-tetramethyl-2,8-dihydropyrano[2,3-f]chromen-6-yl)-Show More⌵

Mol. Formula:
C35H30O7

M.W.:
562.62

Type:
---

AlogP:
7.64

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5266915

Name:
N-Benzyl-2-(2-nitro-8-oxoimidazo[1,2-a]pyrazin-7(8H)-yl)-acetamide

Mol. Formula:
C15H13N5O4

M.W.:
327.30

Type:
---

AlogP:
0.72

Polar Surface Area:
111.54

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5266828

Name:
2-[(3,4-dihydroxyphenyl)methyl]-6,7,10-trihydroxy-benzofuro[5,6-b]benzofuraShow More⌵

Mol. Formula:
C21H14O8

M.W.:
394.34

Type:
---

AlogP:
3.30

Polar Surface Area:
140.59

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5266752

Name:
2-(tert-butylamino)-1-(2,6-dimethylphenyl)-2-oxoethyl benzoate

Mol. Formula:
C21H25NO3

M.W.:
339.44

Type:
---

AlogP:
4.12

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5266726

Name:
N-(3,5-bis(trifluoromethyl)phenyl)-3-bromo-2-methylpropanamide

Mol. Formula:
C12H10BrF6NO

M.W.:
378.11

Type:
---

AlogP:
4.69

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5266692

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

Mol. Formula:
C27H19N5O

M.W.:
429.48

Type:
---

AlogP:
5.27

Polar Surface Area:
65.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS