Compounds

ALA4745090

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-1,2,3,4-tetra
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Mol. Formula:
C25H24N2O2

M.W.:
384.48

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4764800

Name:
N-((R)-Carbamoylphenylmethyl)-N-[(R)-1-(3,4,5-trif
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Mol. Formula:
C23H19F3N2O2

M.W.:
412.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4763338

Name:
N-((R)-Carbamoylphenylmethyl)-N-((S)-2,3-dihydrobe
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Mol. Formula:
C23H20N2O3

M.W.:
372.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
72.63

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4763262

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-4,6-difluoroi
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Mol. Formula:
C24H20F2N2O2

M.W.:
406.43

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4762495

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-6-chloro-4-fl
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Mol. Formula:
C23H19ClFN3O2

M.W.:
423.88

6 activity values

5 unique targets

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
76.29

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4759917

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-6-fluoroindan
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Mol. Formula:
C24H21FN2O2

M.W.:
388.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4758145

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-4-chloroindan
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Mol. Formula:
C24H21ClN2O2

M.W.:
404.90

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4780483

Name:
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 3,4-dihy
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Mol. Formula:
C20H29NO2

M.W.:
315.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4780270

Name:
2-Amino-N-((R)-carbamoylphenylmethyl)-N-[(R)-1-(3,
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Mol. Formula:
C23H21F2N3O2

M.W.:
409.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
89.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4777635

Name:
N-((R)-Carbamoylphenylmethyl)-N-[(R)-1-(3,5-difluo
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Mol. Formula:
C24H22F2N2O2

M.W.:
408.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4777173

Name:
(1S,3R,6S)-6-isopropyl-3-methyl-2-methylenecyclohe
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Mol. Formula:
C18H24O2

M.W.:
272.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4752955

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-4,6-difluoroi
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Mol. Formula:
C23H19F2N3O2

M.W.:
407.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
76.29

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4751372

Name:
N-((R)-Carbamoylphenylmethyl)-N-[(R)-1-(2,3,5-trif
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Mol. Formula:
C23H19F3N2O2

M.W.:
412.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4750971

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-6-chloro-4-fl
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Mol. Formula:
C24H21ClFN3O2

M.W.:
437.90

27 activity values

9 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
76.29

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4795385

Name:
2-Amino-N-((R)-carbamoylphenylmethyl)-N-((R)-6-chl
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Mol. Formula:
C23H20ClFN4O2

M.W.:
438.89

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
102.31

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4791592

Name:
N-((R)-Carbamoylphenylmethyl)-N-[(R)-1-(3,5-difluo
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Mol. Formula:
C23H20F2N2O3

M.W.:
410.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
83.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4786793

Name:
N-((R)-Carbamoylphenylmethyl)-N-((R)-1-phenylethyl
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Mol. Formula:
C23H22N2O2

M.W.:
358.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
63.40

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5282352

Name:
2-(3-aminophenyl)-5-(2-ethyl-2H-tetrazol-5-yl)thia
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Mol. Formula:
C12H12N6OS

M.W.:
288.34

Type:
---

AlogP:
1.77

Polar Surface Area:
102.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5282295

Name:
5-(4-chlorophenyl)-3-(methylthio)-1H-pyrazole

Mol. Formula:
C10H9ClN2S

M.W.:
224.72

Type:
---

AlogP:
3.45

Polar Surface Area:
28.68

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5282082

Name:
1-(N-(4-fluoro-3-(trifluoromethyl)benzyl)-N-(3-met
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Mol. Formula:
C23H22F4N2O4S2

M.W.:
530.57

Type:
---

AlogP:
5.42

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS