Compounds

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
93.94

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4778746

Name:
(S)-N-(1-oxo-1-(phenethylamino)-5-(piperidin-1-yl)
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Mol. Formula:
C31H37N3O2

M.W.:
483.66

2 activity values

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
61.44

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4777535

Name:
1-(4-methylquinolin-2-yl)guanidine

Cas Number:
503831-72-9

Mol. Formula:
C11H12N4

M.W.:
200.25

6 activity values

4 unique targets

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
74.79

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4785076

Name:
2-((5-(2-(trifluoromethyl)phenyl)furan-2-yl)methyl
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Mol. Formula:
C13H12ClF3N4O

M.W.:
332.71

8 activity values

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
87.40

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4784123

Name:
2-(3,4-dibromobenzylidene)hydrazinecarboximidamide
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Mol. Formula:
C8H9Br2ClN4

M.W.:
356.45

9 activity values

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
74.26

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4794542

Name:
2-(4-chloro-3-(trifluoromethyl)benzylidene)hydrazi
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Mol. Formula:
C9H9Cl2F3N4

M.W.:
301.10

8 activity values

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
74.26

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4793841

Name:
5-(3,4-dichlorophenyl)-1,6-dihydropyrimidin-2-amin
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Mol. Formula:
C10H9Cl2N3

M.W.:
242.11

5 activity values

5 unique targets

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
50.41

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4800557

Name:
(2S,4S)-pentyl 1-(2-chlorobenzyl)-4-(4-methoxybenz
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Mol. Formula:
C25H33ClN2O3

M.W.:
445.00

6 activity values

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
50.80

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4799458

Name:
1-(6-chloro-4-methylquinolin-2-yl)guanidine

Mol. Formula:
C11H11ClN4

M.W.:
234.69

7 activity values

4 unique targets

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
74.79

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5093771

Name:
(R)-N-((S)-1-amino-3-(2-bromophenyl)-1-oxopropan-2
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Mol. Formula:
C30H33BrN6O3

M.W.:
605.54

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5093184

Name:
(R)-N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-
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Mol. Formula:
C27H36N6O3

M.W.:
492.62

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5091693

Name:
(S)-2-((R)-2-(3,3-diphenylacrylamido)-5-guanidinop
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Mol. Formula:
C25H31N7O4

M.W.:
493.57

Type:
Unknown

AlogP:
-0.29

Polar Surface Area:
206.28

HBA:
5

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5091013

Name:
(R)-N-(2-amino-2-oxoethyl)-2-(3,3-diphenylacrylami
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Mol. Formula:
C23H28N6O3

M.W.:
436.52

19 activity values

9 unique targets

Type:
Unknown

AlogP:
0.47

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5090293

Name:
(R)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(3
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Mol. Formula:
C30H34N6O3

M.W.:
526.64

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5088703

Name:
(R)-N-((R)-1-amino-1-oxopropan-2-yl)-2-(3,3-diphen
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Mol. Formula:
C24H30N6O3

M.W.:
450.54

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5088429

Name:
(R)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(3,
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Mol. Formula:
C26H34N6O3

M.W.:
478.60

Type:
Unknown

AlogP:
1.49

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5087609

Name:
(R)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan
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Mol. Formula:
C30H34N6O4

M.W.:
542.64

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
183.42

HBA:
5

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5085324

Name:
(R)-N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-2-(3
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Mol. Formula:
C27H36N6O3

M.W.:
492.62

32 activity values

12 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5085023

Name:
(R)-N-((S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl)-
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Mol. Formula:
C30H40N6O3

M.W.:
532.69