Compounds

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
164.16

HBA:
14

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3774797

Name:
2-Methyl-4-amine-5-((4-(((5-(2-amine-4-trifluorome
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Mol. Formula:
C15H15F3N12S2

M.W.:
484.50

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
178.15

HBA:
14

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3775178

Name:
2-Methyl-4-amine-5-((4-(((5-(2-amine-N,4-dimethylt
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Mol. Formula:
C16H20N12S2

M.W.:
444.55

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
164.16

HBA:
14

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3775972

Name:
2-Methyl-4-amine-5-((4-(((5-(2-amine-4-methylthiaz
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Mol. Formula:
C15H18N12S2

M.W.:
430.53

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
178.15

HBA:
14

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3775433

Name:
2-Methyl-4-amine-5-((4-(((5-(2-chloro-4-nitropheny
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Mol. Formula:
C17H14ClN9O3S

M.W.:
459.88

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
164.57

HBA:
12

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3774458

Name:
2-Methyl-4-amine-5-((4-(((5-(2-fluorophenyl)-1,3,4
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Mol. Formula:
C17H15FN8OS

M.W.:
398.43

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
121.43

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3775837

Name:
2-Methyl-4-amine-5-((4-(((5-(3-nitrophenyl)-1,3,4-
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Mol. Formula:
C17H15N9O3S

M.W.:
425.43

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
164.57

HBA:
12

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3775862

Name:
2-Methyl-4-amine-5-((4-(((5-(3,5-dinitrophenyl)-1,
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Mol. Formula:
C17H14N10O5S

M.W.:
470.43

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
207.71

HBA:
14

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3775250

Name:
2-Methyl-4-amine-5-((4-(((5-(4-(trifluoromethyl)ph
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Mol. Formula:
C18H15F3N8OS

M.W.:
448.43

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
121.43

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3774429

Name:
2-Methyl-4-amine-5-((4-(((5-(4-fluorophenyl)-1,3,4
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Mol. Formula:
C17H15FN8OS

M.W.:
398.43

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
121.43

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3775603

Name:
2-Methyl-4-amine-5-((4-(((5-phenyl-1,3,4-oxadiazol
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Mol. Formula:
C17H16N8OS

M.W.:
380.44

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
121.43

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3775019

Name:
2-Methyl-4-amine-5-((4-(((5-(2-nitrophenyl)-1,3,4-
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Mol. Formula:
C17H15N9O3S

M.W.:
425.43

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
164.57

HBA:
12

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3775582

Name:
2-Methyl-4-amine-5-((4-(((5-(4-chlorophenyl)-1,3,4
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Mol. Formula:
C17H15ClN8OS

M.W.:
414.88

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
121.43

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3775567

Name:
2-Methyl-4-amine-5-((4-(((5-(4-nitrophenyl)-1,3,4-
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Mol. Formula:
C17H15N9O3S

M.W.:
425.43