Compounds

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
89.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA516957

Name:
N-hydroxy-3-(1-methyl-4-((5-oxo-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidenShow More⌵

Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA460672

Name:
N-hydroxy-3-(1-methyl-4-((1-oxo-3,4-dihydronaphthalen-2(1H)-ylidene)methyl)Show More⌵

Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA454194

Name:
3-(4-(3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hShow More⌵

Mol. Formula:
C17H14Cl2N2O3

M.W.:
365.22

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA460671

Name:
3-(4-(3-(2,3-dihydrobenzofuran-5-yl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2Show More⌵

Mol. Formula:
C19H18N2O4

M.W.:
338.36

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
80.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA461494

Name:
3-(4-(3-(benzofuran-2-yl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hydrShow More⌵

Mol. Formula:
C19H16N2O4

M.W.:
336.35

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
84.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA461493

Name:
3-(4-(-3-(3-chloro-4-fluorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yShow More⌵

Mol. Formula:
C17H14ClFN2O3

M.W.:
348.76

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA461492

Name:
(E)-3-(4-((E)-3-(2,6-difluorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2Show More⌵

Mol. Formula:
C17H14F2N2O3

M.W.:
332.31

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA461079

Name:
3-(4-(3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hShow More⌵

Mol. Formula:
C17H14Cl2N2O3

M.W.:
365.22

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA511523

Name:
3-(4-(3-(3,5-difluorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hShow More⌵

Mol. Formula:
C17H14F2N2O3

M.W.:
332.31

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA461078

Name:
3-(4-(3-(3,4-difluorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hShow More⌵

Mol. Formula:
C17H14F2N2O3

M.W.:
332.31

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA460876

Name:
3-(4-(3-(2,5-difluorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hShow More⌵

Mol. Formula:
C17H14F2N2O3

M.W.:
332.31

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA512566

Name:
3-(4-(3-(2,3-dichlorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hShow More⌵

Mol. Formula:
C17H14Cl2N2O3

M.W.:
365.22

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA453044

Name:
N-hydroxy-3-(1-methyl-4-(3-oxo-3-(thiophen-3-yl)prop-1-enyl)-1H-pyrrol-2-ylShow More⌵

Mol. Formula:
C15H14N2O3S

M.W.:
302.36

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
71.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA510415

Name:
3-(4-(3-(furan-2-yl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hydroxyacShow More⌵

Mol. Formula:
C15H14N2O4

M.W.:
286.29

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
84.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA454599

Name:
N-hydroxy-3-(1-methyl-4-(3-oxo-3-(thiophen-2-yl)prop-1-enyl)-1H-pyrrol-2-ylShow More⌵

Mol. Formula:
C15H14N2O3S

M.W.:
302.36