Compounds

ALA5267421

Name:
4-[bis(1-hydroxy-3-oxo-3,4-dihydronaphthalen-2-yl)methyl]phenyl 4-[bis(1-hyShow More⌵

Mol. Formula:
C55H38O10

M.W.:
858.90

Type:
---

AlogP:
9.45

Polar Surface Area:
175.50

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5266950

Name:
7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3Show More⌵

Mol. Formula:
C28H34O15

M.W.:
610.57

Type:
---

AlogP:
-1.16

Polar Surface Area:
234.29

HBA:
15

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5266424

Name:
3-chloroanthranilic acid

Mol. Formula:
C7H6ClNO2

M.W.:
171.58

Type:
---

AlogP:
1.62

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5266260

Name:
2-(3-(2-methoxyphenyl)ureido)-2-oxoethyl (S)-(2-oxotetrahydrofuran-3-yl)carShow More⌵

Mol. Formula:
C15H17N3O5S2

M.W.:
383.45

Type:
---

AlogP:
1.27

Polar Surface Area:
105.76

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282585

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl (2E)-3-(3,4-dimethoxypShow More⌵

Mol. Formula:
C36H26O10

M.W.:
618.59

Type:
---

AlogP:
6.13

Polar Surface Area:
145.64

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5282403

Name:
N-cyclopentyloctanamide

Mol. Formula:
C13H25NO

M.W.:
211.35

Type:
---

AlogP:
3.41

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282020

Name:
2-chloro-1-(3,4-difluorophenyl)ethan-1-one

Mol. Formula:
C8H5ClF2O

M.W.:
190.58

Type:
---

AlogP:
2.39

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA5281836

Name:
1-(4-aminophenyl)-3-(diaminomethylene)-1-phenyl-guanidinehydrochloride

Mol. Formula:
C14H17ClN6

M.W.:
304.79

Type:
---

AlogP:
1.62

Polar Surface Area:
117.51

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5281390

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl 3,4-dihydroxybenzoate

Mol. Formula:
C32H20O10

M.W.:
564.50

Type:
---

AlogP:
5.12

Polar Surface Area:
167.64

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5280883

Name:
2-{[2-(acetyloxy)ethyl]({4-[bis(1-hydroxy-3-oxo-3,4-dihydronaphthalen-2-yl)Show More⌵

Mol. Formula:
C35H33NO8

M.W.:
595.65

Type:
---

AlogP:
4.89

Polar Surface Area:
130.44

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5280750

Name:
1-(3,4,5-trimethoxyphenyl)ethan-1-one

Mol. Formula:
C11H14O4

M.W.:
210.23

Type:
---

AlogP:
1.92

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5280642

Name:
1-(1-methyl-1H-imidazol-2-yl)ethan-1-one

Mol. Formula:
C6H8N2O

M.W.:
124.14

Type:
---

AlogP:
0.62

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.51

DETAILS

ALA5280614

Name:
ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Mol. Formula:
C11H11NO5

M.W.:
237.21

Type:
---

AlogP:
1.73

Polar Surface Area:
86.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5280089

Name:
1-(2-methoxyphenyl)ethan-1-one

Mol. Formula:
C9H10O2

M.W.:
150.18

Type:
---

AlogP:
1.90

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA5279779

Name:
3-[bis(1-hydroxy-3-oxo-3,4-dihydronaphthalen-2-yl)methyl]-5-(4-methylbenzoyShow More⌵

Mol. Formula:
C43H32O8

M.W.:
676.72

Type:
---

AlogP:
8.01

Polar Surface Area:
127.20

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5279778

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl (2E)-3-(3,4-dihydroxypShow More⌵

Mol. Formula:
C34H22O10

M.W.:
590.54

Type:
---

AlogP:
5.52

Polar Surface Area:
167.64

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5279571

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl 2,5-dihydroxybenzoate

Mol. Formula:
C32H20O10

M.W.:
564.50

Type:
---

AlogP:
5.12

Polar Surface Area:
167.64

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5279433

Name:
(S)-4-fluoro-N-(4-(N-(2-oxotetrahydrofuran-3-yl)sulfamoyl)phenyl)benzamide

Mol. Formula:
C17H15FN2O5S

M.W.:
378.38

Type:
---

AlogP:
1.67

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5279055

Name:
ethyl 3-oxo-3-(p-tolyl)propanoate

Mol. Formula:
C12H14O3

M.W.:
206.24

Type:
---

AlogP:
2.13

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5278636

Name:
ethyl 3-(3-methoxyphenyl)-3-oxopropanoate

Mol. Formula:
C12H14O4

M.W.:
222.24

Type:
---

AlogP:
1.83

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS