Compounds

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
169.67

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4536683

Name:
Cis-4-((4,5-Dihydroisoxazol-3-yl)oxy)-N,N-dimethyl
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Mol. Formula:
C22H25BrN4O2

M.W.:
457.37

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
55.54

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4559952

Name:
1-methylpiperidin-3-yl 3,4-dimethoxyphenethyl(phen
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Mol. Formula:
C23H30N2O4

M.W.:
398.50

11 activity values

6 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4555411

Name:
(S)-2-Acetamido-N-((S)-1-(((S)-3-(4-hydroxyphenyl)
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Mol. Formula:
C51H57F3N8O9

M.W.:
983.06

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
205.07

HBA:
8

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4554682

Name:
(S)-2-Acetamido-6-amino-N-((S)-1-(((S)-3-(4-hydrox
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Mol. Formula:
C58H74F12N10O15

M.W.:
1379.26

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
221.78

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4571841

Name:
phenethyl phenyl(quinuclidin-8-yl)carbamate

Mol. Formula:
C22H26N2O2

M.W.:
350.46

5 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4571387

Name:
N1,N10-Bis(4-((4,5-dihydroisoxazol-3-yl)oxy)but-2-
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Mol. Formula:
C28H48Br2N4O4

M.W.:
664.52

2 activity values

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
61.64

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4570052

Name:
3,4-dimethoxybenzyl phenyl(quinuclidin-8-yl)carbam
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Mol. Formula:
C23H28N2O4

M.W.:
396.49

5 unique targets

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4569929

Name:
N-(4-(1-(2-Oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[
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Mol. Formula:
C29H35F3N4O5

M.W.:
576.62

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4569639

Name:
(S)-2-Acetamido-6-amino-N-((S)-3-(4-hydroxyphenyl)
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Mol. Formula:
C55H69F12N9O14

M.W.:
1308.18

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
192.68

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4568151

Name:
(S)-2-Acetamido-N1-((S)-4-methyl-1-oxo-1-((2-(4-(4
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Mol. Formula:
C49H66F9N9O12

M.W.:
1144.10

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
189.52

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4567026

Name:
(S)-2-Acetamido-N1-((S)1-(((S)-4-methyl-1-oxo-1-((
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Mol. Formula:
C52H71F9N10O13

M.W.:
1215.18

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
218.62

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4516350

Name:
1-methylpiperidin-4-yl 3,4-dimethoxyphenethyl(phen
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Mol. Formula:
C23H30N2O4

M.W.:
398.50

11 activity values

6 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4515788

Name:
(S)-2-((S)-2-((S)-2-Acetamido-3-(4-hydroxyphenyl)p
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Mol. Formula:
C58H74F12N10O15

M.W.:
1379.26

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
221.78

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4548432

Name:
(S)-2-Acetamido-N-((S)-1-oxo-1-((2-(4-(4-(1-(2-oxo
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Mol. Formula:
C44H57F9N8O11

M.W.:
1044.97

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
146.43

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4546244

Name:
N-((1S,2S)-2-hydroxycyclohexyl)-1-(4-methoxybenzyl
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Mol. Formula:
C22H25N3O3

M.W.:
379.46

1 activity values

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
76.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4745187

Name:
1-(6-(5-Fluoropyridin-2-yl)-2,6-diazaspiro[3.3]hep
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Mol. Formula:
C23H23FN4O

M.W.:
390.46

2 activity values

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
49.33

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4745001

Name:
N-(2-hydroxy-2-methylpropyl)-4-(4-(pyridin-4-yl)be
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Mol. Formula:
C24H24N4O2

M.W.:
400.48

1 activity values