Compounds

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
88.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4877610

Name:
(E)-N'-(naphthalen-1-ylmethylene)-5-(naphthalen-2-
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Mol. Formula:
C25H18N4O

M.W.:
390.45

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
70.14

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4877410

Name:
(E)-N'-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methy
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Mol. Formula:
C23H18N4O3

M.W.:
398.42

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
88.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4871012

Name:
(E)-5-(naphthalen-2-yl)-N'-(pyridin-3-ylmethylene)
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Cas Number:
1285498-45-4

Mol. Formula:
C20H15N5O

M.W.:
341.37

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
83.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4870518

Name:
(E)-N'-benzylidene-5-(naphthalen-2-yl)-1H-pyrazole
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Mol. Formula:
C21H16N4O

M.W.:
340.39

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
70.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4869938

Name:
(E)-N'-((2-methoxynaphthalen-1-yl)methylene)-5-(na
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Mol. Formula:
C26H20N4O2

M.W.:
420.47

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
79.37

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4869467

Name:
(E)-N'-(4-methoxybenzylidene)-5-(naphthalen-2-yl)-
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Mol. Formula:
C22H18N4O2

M.W.:
370.41

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
79.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5283022

Name:
(2S,3S,4R)-4-amino-2-(10-propoxydecyl)tetrahydrofu
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Mol. Formula:
C17H35NO3

M.W.:
301.47

Type:
---

AlogP:
3.01

Polar Surface Area:
64.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5278394

Name:
7-bromo-2-phenethyl-2,3,4,5-tetrahydro-1,4-epoxyna
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Mol. Formula:
C22H20BrNO

M.W.:
394.31

Type:
---

AlogP:
5.67

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4866324

Name:
(E)-5-(naphthalen-2-yl)-N'-(3-nitrobenzylidene)-1H
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Mol. Formula:
C21H15N5O3

M.W.:
385.38

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
113.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4858010

Name:
(E)-N'-(2-methoxybenzylidene)-5-(naphthalen-2-yl)-
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Mol. Formula:
C22H18N4O2

M.W.:
370.41

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
79.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1089342

Name:
1-Carbamimidoyl-N-(4-hexadecylphenyl)cyclopropanec
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Mol. Formula:
C27H46ClN3O

M.W.:
464.14

4 activity values

Type:
Small molecule

AlogP:
7.37

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1092170

Name:
1-Carbamimidoyl-N-(4-tetradecylphenyl)cyclopropane
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Mol. Formula:
C25H42ClN3O

M.W.:
436.08

4 activity values

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1093397

Name:
1-Carbamimidoyl-N-(4-dodecylphenyl)cyclopropanecar
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Mol. Formula:
C23H38ClN3O

M.W.:
408.03

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
78.97

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4849293

Name:
(E)-N'-(3-methoxybenzylidene)-5-(naphthalen-2-yl)-
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Mol. Formula:
C22H18N4O2

M.W.:
370.41

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
79.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4782258

Name:
(R)-(1-(4-(4-butylphenethyl)benzyl)pyrrolidin-2-yl
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Mol. Formula:
C24H34ClNO

M.W.:
388.00

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4782103

Name:
(R,E)-(1-(4-(3-(trifluoromethyl)styryl)benzyl)pyrr
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Mol. Formula:
C21H23ClF3NO

M.W.:
397.87

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4782021

Name:
(S)-Amino(2-(3-(1-decyl-1H-indol-5-yl)-1,2,4-oxadi
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Mol. Formula:
C25H37ClN6O

M.W.:
473.07

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.86

Polar Surface Area:
96.96

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4781511

Name:
(S)-Amino(2-(3-(1-nonyl-1H-indol-6-yl)-1,2,4-oxadi
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Mol. Formula:
C24H35ClN6O

M.W.:
459.04

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
96.96

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3736467

Name:
diethyl 4,4'-(4,4'-oxybis(4,1-phenylene)bis(azaned
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Mol. Formula:
C24H28N2O7

M.W.:
456.50

1 activity values