Compounds

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4545716

Name:
Santalone

Cas Number:
59300-51-5

Mol. Formula:
C11H16O

M.W.:
164.25

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA4516711

Name:
Timberol

Cas Number:
70788-30-6

Mol. Formula:
C15H30O

M.W.:
226.40

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4582858

Name:
Isodamascone

Mol. Formula:
C13H20O

M.W.:
192.30

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4569846

Name:
Alpha-Methyl Ionone

Cas Number:
127-42-4

Mol. Formula:
C14H22O

M.W.:
206.33

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4567266

Name:
Isobutyl Ionone

Cas Number:
99948-88-6

Mol. Formula:
C16H26O

M.W.:
234.38

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4565078

Name:
Beta-Damascone

Cas Number:
2376-92-3

Mol. Formula:
C13H20O

M.W.:
192.30

4 activity values

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4473713

Name:
Ethyl Saffranate

Cas Number:
35044-59-8

Mol. Formula:
C12H18O2

M.W.:
194.27

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA4514620

Name:
Delta-Damascone

Cas Number:
57378-68-4

Mol. Formula:
C13H20O

M.W.:
192.30

4 activity values

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4469540

Name:
Pseudoionone

Cas Number:
141-10-6

Mol. Formula:
C13H20O

M.W.:
192.30

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4469235

Name:
Brahmanol

Mol. Formula:
C13H24O

M.W.:
196.33

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4464953

Name:
Cocoyl Trimethyl-ammonium Chloride

Mol. Formula:
C22H48ClNO3S

M.W.:
442.15

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4462773

Name:
Myristoyl Sarcosine

Cas Number:
52558-73-3

Mol. Formula:
C17H33NO3

M.W.:
299.45

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4462463

Name:
Linoleamidopropyl Dimethylamine

Cas Number:
81613-56-1

Mol. Formula:
C23H44N2O

M.W.:
364.62

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4460864

Name:
Dihydro Alpha-Ionone

Cas Number:
31499-72-6

Mol. Formula:
C13H22O

M.W.:
194.32

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4442941

Name:
Nonadieneal

Cas Number:
26370-28-5

Mol. Formula:
C9H14O

M.W.:
138.21

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4441073

Name:
Isocyclogeraniol

Cas Number:
68527-77-5

Mol. Formula:
C10H18O

M.W.:
154.25

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA3184724

Name:
SID144212780

Cas Number:
79-78-7

Mol. Formula:
C16H24O

M.W.:
232.37

4 activity values

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1907464

Name:
SID144211669

Cas Number:
97-78-9

Mol. Formula:
C15H29NO3

M.W.:
271.40

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1231297

Name:
Cocamidopropyl Betaine

Cas Number:
4292-10-8

Mol. Formula:
C19H38N2O3

M.W.:
342.52