Compounds

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4513509

Name:
(S)-N-((S)-3-((1S,4aR,8aR)-decahydronaphthalen-1-y
Show More⌵

Mol. Formula:
C35H52N4O7

M.W.:
640.82

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4544868

Name:
(2S)-N-((2S)-3-((1S)-decahydronaphthalen-1-yl)-1-(
Show More⌵

Mol. Formula:
C35H52N4O7

M.W.:
640.82

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4518685

Name:
(S)-3-(4-methoxyphenyl)-N-((S)-1-((R)-2-methyloxir
Show More⌵

Mol. Formula:
C35H46N4O7

M.W.:
634.77

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4079518

Name:
((R)-3-Methyl-1-((S)-2-(3-((S)-1-oxo-3-phenyl-1-(p
Show More⌵

Mol. Formula:
C28H35BN6O5

M.W.:
546.44

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4452605

Name:
(S)-3-(4-methoxyphenyl)-N-((S)-1-((R)-2-methyloxir
Show More⌵

Mol. Formula:
C35H46N4O7

M.W.:
634.77

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4443899

Name:
(S)-N-((S)-3-((1R,4aS,8aS)-decahydronaphthalen-1-y
Show More⌵

Mol. Formula:
C35H52N4O7

M.W.:
640.82

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
138.60

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4248209

Name:
N-((S)-1-((R)-1-(1,3,6,2-dioxazaborocan-2-yl)-3-me
Show More⌵

Mol. Formula:
C20H30BCl2N3O5

M.W.:
474.19

29 activity values

9 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4217578

Name:
(5Z)-5-(3-Phenoxybenzylidene)-3-phenyl-2-thioxoimi
Show More⌵

Mol. Formula:
C22H16N2O2S

M.W.:
372.45

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4215753

Name:
(5Z)-5-(3-Methoxybenzylidene)-3-phenyl-2-thioxoimi
Show More⌵

Mol. Formula:
C17H14N2O2S

M.W.:
310.38

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4214545

Name:
(5Z)-5-(4-Phenoxybenzylidene)-3-phenyl-2-thioxoimi
Show More⌵

Mol. Formula:
C22H16N2O2S

M.W.:
372.45

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4213821

Name:
(5Z)-3-(Naphth-1-yl)-5-(4-phenoxybenzylidene)-2-th
Show More⌵

Mol. Formula:
C26H18N2O2S

M.W.:
422.51

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4213715

Name:
(5Z)-5-(4-Methoxybenzylidene)-3-phenyl-2-thioxoimi
Show More⌵

Mol. Formula:
C17H14N2O2S

M.W.:
310.38

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4212662

Name:
(5Z)-5-(3-Hydroxy-4-methoxybenzylidene)-3-phenyl-2
Show More⌵

Mol. Formula:
C17H14N2O3S

M.W.:
326.38

8 activity values

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
61.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4210802

Name:
3-(Naphth-1-yl)-2-thioxoimidazolidin-4-one

Mol. Formula:
C13H10N2OS

M.W.:
242.30

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4208777

Name:
(5Z)-5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2
Show More⌵

Cas Number:
325994-26-1

Mol. Formula:
C17H14N2O3S

M.W.:
326.38

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
61.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4205881

Name:
(5Z)-5-(4-Methylthiobenzylidene)-3-phenyl-2-thioxo
Show More⌵

Mol. Formula:
C17H14N2OS2

M.W.:
326.45

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4204445

Name:
(5Z)-5-(3,4-Dimethoxybenzylidene)-3-phenyl-2-thiox
Show More⌵

Mol. Formula:
C18H16N2O3S

M.W.:
340.40

9 activity values

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4130258

Name:
(S)-6-amino-2-((S)-2-((S)-2-((S)-2-azido-3-phenylp
Show More⌵

Mol. Formula:
C27H44FN7O5S

M.W.:
597.76