Compounds

ALA5268774

Name:
acetic acid(1E)-1-[amino-[6-[[(E)-N'-[(E)-N'-(1,3-dimethylpentyl)carbamimidShow More⌵

Mol. Formula:
C28H60N10O4

M.W.:
600.85

Type:
---

AlogP:
2.63

Polar Surface Area:
177.58

HBA:
2

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5267797

Name:
acetic acid(1E)-1-[amino-[6-[[(E)-N'-[(E)-N'-(1,4-dimethylpentyl)carbamimidShow More⌵

Mol. Formula:
C28H60N10O4

M.W.:
600.85

Type:
---

AlogP:
2.63

Polar Surface Area:
177.58

HBA:
2

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5280618

Name:
acetic acid(1E)-1-[amino-[6-[[(E)-N'-[(E)-N'-(1-cyclohexylethyl)carbamimidoShow More⌵

Mol. Formula:
C30H60N10O4

M.W.:
624.88

Type:
---

AlogP:
2.92

Polar Surface Area:
177.58

HBA:
2

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5276824

Name:
acetic acid(1E)-1-[amino-[6-[[(E)-N'-[(E)-N'-(1-methylhexyl)carbamimidoyl]cShow More⌵

Mol. Formula:
C28H60N10O4

M.W.:
600.85

Type:
---

AlogP:
2.92

Polar Surface Area:
177.58

HBA:
2

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5289724

Name:
acetic acid(1E)-1-[amino-[6-[[(E)-N'-[(E)-N'-norbornan-2-ylcarbamimidoyl]caShow More⌵

Mol. Formula:
C28H52N10O4

M.W.:
592.79

Type:
---

AlogP:
1.36

Polar Surface Area:
177.58

HBA:
2

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5205568

Name:
Malvin

Mol. Formula:
C29H35O17+

M.W.:
655.58

1 activity values

1 unique targets

Type:
---

AlogP:
-1.83

Polar Surface Area:
268.98

HBA:
16

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4859813

Name:
5,5'-(ethane-1,2-diyl)bis(2-tert-butylphenol)

Mol. Formula:
C22H30O2

M.W.:
326.48

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4799775

Name:
methyl 3-(1-naphthamido)benzoate

Mol. Formula:
C19H15NO3

M.W.:
305.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4799381

Name:
N-(3-Carbamoylphenyl)-5-nitro-1-benzofuran-2-carboxamide

Mol. Formula:
C16H11N3O5

M.W.:
325.28

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
128.47

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4798796

Name:
N-(3-carbamoylphenyl)-5-nitro-1H-indole-2-carboxamide

Mol. Formula:
C16H12N4O4

M.W.:
324.30

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
131.12

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4798054

Name:
N-(2-carbamoylphenyl)-5-methoxy-1H-indole-2-carboxamide

Mol. Formula:
C17H15N3O3

M.W.:
309.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
97.21

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4797424

Name:
Methyl 3-(naphthalene-2-amido)benzoate

Mol. Formula:
C19H15NO3

M.W.:
305.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4797309

Name:
N-(4-Carbamoylphenyl)quinoline-2-carboxamide

Mol. Formula:
C17H13N3O2

M.W.:
291.31

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
85.08

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4796444

Name:
methyl 2-(5-methoxy-1H-indole-2-carboxamido)benzoate

Mol. Formula:
C18H16N2O4

M.W.:
324.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
80.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4796366

Name:
methyl 4-(5-nitro-1H-indole-2-carboxamido)benzoate

Mol. Formula:
C17H13N3O5

M.W.:
339.31

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
114.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4796173

Name:
methyl 3-(benzo[b]thiophene-2-carboxamido)benzoate

Mol. Formula:
C17H13NO3S

M.W.:
311.36

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4795819

Name:
N-(2-carbamoylphenyl)-1-naphthamide

Mol. Formula:
C18H14N2O2

M.W.:
290.32

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
72.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4795085

Name:
N-(3-carbamoylphenyl)-5-nitrobenzo[b]thiophene-2-carboxamide

Mol. Formula:
C16H11N3O4S

M.W.:
341.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
115.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4794259

Name:
5-nitro-N-phenylbenzo[b]thiophene-2-carboxamide

Mol. Formula:
C15H10N2O3S

M.W.:
298.32

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
72.24

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4792998

Name:
N-(4-carbamoylphenyl)naphthalene-1-carboxamide

Mol. Formula:
C18H14N2O2

M.W.:
290.32

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
72.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS