Compounds

Type:
---

AlogP:
4.77

Polar Surface Area:
103.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5209292

Name:
4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methylShow More⌵

Mol. Formula:
C26H23ClN2O5S3

M.W.:
575.13

1 activity values

Type:
---

AlogP:
5.24

Polar Surface Area:
84.94

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5209065

Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)benzofuran-2-carbShow More⌵

Mol. Formula:
C27H22N2O6

M.W.:
470.48

Type:
---

AlogP:
6.12

Polar Surface Area:
103.84

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5209001

Name:
N-(furan-2-ylmethyl)-N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)-2-(thiophShow More⌵

Mol. Formula:
C22H22N2O4S2

M.W.:
442.56

5 activity values

Type:
---

AlogP:
3.07

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5208932

Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-4-methoxybenzamiShow More⌵

Mol. Formula:
C26H24N2O6

M.W.:
460.49

Type:
---

AlogP:
5.38

Polar Surface Area:
99.93

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5208799

Name:
Sodium ((4-chloro-2-(trifluoromethyl)phenyl)carbamoyl)((4-(2-hydroxypropan-Show More⌵

Mol. Formula:
C15H13ClF3N2NaO5S

M.W.:
448.78

Type:
---

AlogP:
3.69

Polar Surface Area:
108.64

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5208745

Name:
(2,5-Dichlorobenzoyl)-L-phenylalanyl-L-leucine

Mol. Formula:
C22H24Cl2N2O4

M.W.:
451.35

Type:
---

AlogP:
3.95

Polar Surface Area:
95.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5208422

Name:
N-(5-chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)beShow More⌵

Mol. Formula:
C30H29ClN2O4S2

M.W.:
581.16

5 activity values

Type:
---

AlogP:
6.14

Polar Surface Area:
75.71

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5208208

Name:
((R)-1-((S)-2-(2,5-Dichlorobenzamido)-3-(4-hydroxyphenyl)propanamido)-3-metShow More⌵

Mol. Formula:
C21H25BCl2N2O5

M.W.:
467.16

4 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5208054

Name:
N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-4-ethoxybenzamidShow More⌵

Mol. Formula:
C27H26N2O6

M.W.:
474.51

Type:
---

AlogP:
5.77

Polar Surface Area:
99.93

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5207986

Name:
N-(5-chloro-2-propoxybenzyl)-N-(4-(prop-2-yn-1-ylsulfonyl)phenethyl)benzo[bShow More⌵

Mol. Formula:
C30H28ClNO4S2

M.W.:
566.14

5 activity values

Type:
---

AlogP:
6.64

Polar Surface Area:
63.68

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5207907

Name:
4-chloro-N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)benzamidShow More⌵

Mol. Formula:
C25H21ClN2O5

M.W.:
464.91

Type:
---

AlogP:
6.03

Polar Surface Area:
90.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5207483

Name:
((R)-1-((S)-2-(2,5-Dichlorobenzamido)-2-phenylacetamido)-3-methylbutyl)boroShow More⌵

Mol. Formula:
C20H23BCl2N2O4

M.W.:
437.13

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5207033

Name:
Sodium ((4-(2-hydroxypropan-2-yl)furan-2-yl)sulfonyl)(p-tolylcarbamoyl)amidShow More⌵

Mol. Formula:
C15H17N2NaO5S

M.W.:
360.37

Type:
---

AlogP:
2.33

Polar Surface Area:
108.64

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5206815

Name:
((R)-1-((S)-2-(2,5-Dichlorobenzamido)-4-methylpentanamido)-3-methylbutyl)boShow More⌵

Mol. Formula:
C18H27BCl2N2O4

M.W.:
417.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5206797

Name:
Sodium ((9H-fluoren-2-yl)carbamoyl)((4-(2-hydroxypropan-2-yl)furan-2-yl)sulShow More⌵

Mol. Formula:
C21H19N2NaO5S

M.W.:
434.45

Type:
---

AlogP:
3.59

Polar Surface Area:
108.64

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5206241

Name:
N-(5-chloro-2-propoxybenzyl)-4-nitro-N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenShow More⌵

Mol. Formula:
C28H28ClN3O6S

M.W.:
570.07

3 unique targets

Type:
---

AlogP:
4.83

Polar Surface Area:
118.85

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5206237

Name:
((R)-1-((S)-2-(2,5-Dichlorobenzamido)-3-methylbutanamido)-3-methylbutyl)borShow More⌵

Mol. Formula:
C17H25BCl2N2O4

M.W.:
403.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5205803

Name:
Sodium ((4-(2-hydroxypropan-2-yl)furan-2-yl)sulfonyl)((4-methoxyphenyl)carbShow More⌵

Mol. Formula:
C15H17N2NaO6S

M.W.:
376.37

Type:
---

AlogP:
2.03

Polar Surface Area:
117.87

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5205215

Name:
2-(benzo[b]thiophen-3-yl)-N-(5-chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1Show More⌵

Mol. Formula:
C31H31ClN2O4S2

M.W.:
595.19

7 activity values