Compounds

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
44.62

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2335386

Name:
4-2-(4-hydroxyphenyl)iminoethylidene]amino]phenol

Mol. Formula:
C14H12N2O2

M.W.:
240.26

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
65.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

4-(Piperazin-1-yl)aniline

Name:
4-(piperazin-1-yl)aniline

Mol. Formula:
C10H15N3

M.W.:
177.25

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
41.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA2335384

Name:
2,5-di(piperidin-1-yl)aniline

Mol. Formula:
C16H25N3

M.W.:
259.40

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
32.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2335383

Name:
5-amino-6-methoxy-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one

Mol. Formula:
C10H13N3O2

M.W.:
207.23

Type:
Small molecule

AlogP:
0.47

Polar Surface Area:
62.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2335382

Name:
5-amino-1,3-dimethyl-6-(piperidin-1-yl)-1H-benzo[d]imidazol-2(3H)-one

Mol. Formula:
C14H20N4O

M.W.:
260.34

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
56.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

5-Amino-1，3，6-trimethyl-1H-benzo[d]imidazol-2(3H)-one

Name:
5-amino-1,3,6-trimethyl-1H-benzo[d]imidazol-2(3H)-one

Mol. Formula:
C10H13N3O

M.W.:
191.23

2 activity values

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
52.95

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2335380

Name:
5-amino-6-(dimethylamino)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one

Mol. Formula:
C11H16N4O

M.W.:
220.28

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
56.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA433966

Name:
5-((2E)-2-{[5-(3-carboxy-4-chlorophenyl)-2-furyl]methylene}hydrazino)-2-chlShow More⌵

Mol. Formula:
C19H12Cl2N2O5

M.W.:
419.22

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
112.13

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA364410

Name:
N-(2-benzoyl-4-chlorophenyl)imidodicarbonimidic diamide

Mol. Formula:
C15H14ClN5O

M.W.:
315.76

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
114.85

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA434915

Name:
N-[4-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylsulfamoyl)-pheShow More⌵

Mol. Formula:
C21H22N4O6S

M.W.:
458.50

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
139.50

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA365434

Name:
2-(3-tert-Butylcarbamoyl-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboShow More⌵

Mol. Formula:
C20H18N2O5

M.W.:
366.37

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
103.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA185802

Name:
N-(2,3-dichlorophenyl)imidodicarbonimidic diamide

Mol. Formula:
C8H9Cl2N5

M.W.:
246.10

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
97.78

HBA:
2

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA187059

Name:
5-{[1,3-Dioxo-2-(2,4,6-trimethyl-phenyl)-2,3-dihydro-1H-isoindole-5-carbonyShow More⌵

Mol. Formula:
C26H20N2O7

M.W.:
472.45