Compounds

Type:
Protein

AlogP:
-4.04

Polar Surface Area:
320.72

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3819122

Name:
AcAsn-Ser-PheSer-Gln-H

Mol. Formula:
C26H37N7O11

M.W.:
623.62

Type:
Protein

AlogP:
-5.12

Polar Surface Area:
309.44

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3818761

Name:
AcHis-Ser-Thr-Leu-Gln-H

Mol. Formula:
C26H42N8O10

M.W.:
626.67

Type:
Protein

AlogP:
-3.83

Polar Surface Area:
295.03

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3818400

Name:
AcAsp-Ser-Thr-Leu-Gln-H

Mol. Formula:
C24H40N6O12

M.W.:
604.61

Type:
Protein

AlogP:
-4.33

Polar Surface Area:
303.65

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3818593

Name:
AcGlu-Ser-Thr-Leu-Gln-H

Mol. Formula:
C25H42N6O12

M.W.:
618.64

Type:
Protein

AlogP:
-3.94

Polar Surface Area:
303.65

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3818000

Name:
AcAsn-Ser-Thr-Ser-Gln-H

Mol. Formula:
C21H35N7O12

M.W.:
577.55

Type:
Protein

AlogP:
-6.98

Polar Surface Area:
329.67

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3818028

Name:
AcAsn-Ser-Thr-Asp-Gln-H

Mol. Formula:
C22H35N7O13

M.W.:
605.56

Type:
Protein

AlogP:
-6.50

Polar Surface Area:
346.74

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3810325

Name:
2-(5-((1-(4-Fluorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)mShow More⌵

Mol. Formula:
C27H17FN2O4

M.W.:
452.44

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3810361

Name:
2-(5-((5-Oxo-1,3-diphenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl)furan-2-yShow More⌵

Mol. Formula:
C27H18N2O4

M.W.:
434.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3809159

Name:
3-(3-Methyl-5-oxo-4-((5-phenylfuran-2-yl)methylene)-4,5-dihydro-1H-pyrazol-Show More⌵

Mol. Formula:
C22H16N2O4

M.W.:
372.38

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3809861

Name:
3-(5-Oxo-3-phenyl-4-((5-phenylfuran-2-yl)methylene)-4,5-dihydro-1H-pyrazol-Show More⌵

Mol. Formula:
C27H18N2O4

M.W.:
434.45

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3810058

Name:
2,5-Diphenyl-4-((5-phenylfuran-2-yl)methylene)-2,4-dihydro-3H-pyrazol-3-one

Mol. Formula:
C26H18N2O2

M.W.:
390.44

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
45.81

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3808427

Name:
(Z)-2-(5-((1-(4-(tert-Butyl)phenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4Show More⌵

Mol. Formula:
C31H25ClN2O4

M.W.:
525.00

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3809329

Name:
4-Chloro-2-(5-((1-(4-isopropylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazolShow More⌵

Mol. Formula:
C30H23ClN2O4

M.W.:
510.98

Type:
Small molecule

AlogP:
7.26

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3808658

Name:
4-Chloro-2-(5-((1-(4-fuorophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yShow More⌵

Mol. Formula:
C27H16ClFN2O4

M.W.:
486.89

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3810328

Name:
4-Chloro-2-(5-((5-oxo-1,3-diphenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl)Show More⌵

Mol. Formula:
C27H17ClN2O4

M.W.:
468.90

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3810010

Name:
4-Chloro-2-(5-((3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)meShow More⌵

Mol. Formula:
C22H15ClN2O4

M.W.:
406.83

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
83.11

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3808795

Name:
2-(5-((1-(3-Carboxyphenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)Show More⌵

Mol. Formula:
C28H17ClN2O6

M.W.:
512.91

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
120.41

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3808558

Name:
2-(5-((1-(3-Carboxyphenyl)-5-oxo-3-(trifuoromethyl)-1,5-dihydro-4H-pyrazol-Show More⌵

Mol. Formula:
C23H13F3N2O6

M.W.:
470.36

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
120.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3810109

Name:
2-(5-((1-(3-Carboxyphenyl)-5-oxo-3-(trifuoromethyl)-1,5-dihydro-4H-pyrazol-Show More⌵

Mol. Formula:
C23H12ClF3N2O6

M.W.:
504.80