Compounds

ALA2289746

Name:
Methyl(1S,3S)-2,2-dimethyl-3-[(Z)-2-(4-bromophenyl)vinyl]cyclopropane-1-carShow More⌵

Mol. Formula:
C15H17BrO2

M.W.:
309.20

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2289745

Name:
Methyl(1S,3S)-2,2-dimethyl-3-[(E)-2-(4-nitrophenyl)vinyl]cyclopropane-1-carShow More⌵

Mol. Formula:
C15H17NO4

M.W.:
275.30

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
69.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2289744

Name:
Methyl(1S,3S)-2,2-dimethyl-3-[(Z)-2-(4-nitrophenyl)vinyl]cyclopropane-1-carShow More⌵

Mol. Formula:
C15H17NO4

M.W.:
275.30

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
69.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2289743

Name:
methyl(1S,3S)-2,2-dimethyl-3-[(E)-2-phenylvinyl]cyclopropane-1-carboxylate

Mol. Formula:
C15H18O2

M.W.:
230.31

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2289742

Name:
Methyl(1S,3S)-2,2-dimethyl-3-[(Z)-2-phenylvinyl]cyclopropane-1-carboxylate

Mol. Formula:
C15H18O2

M.W.:
230.31

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2289741

Name:
Methyl(1S,3S)-3-[(E)-2-(4-fluorophenyl)vinyl]-2,2-dimethylcyclopropane-1-caShow More⌵

Mol. Formula:
C15H17FO2

M.W.:
248.30

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2289740

Name:
Methyl(1S,3S)-3-[(Z)-2-(4-fluorophenyl)vinyl]-2,2-dimethylcyclopropane-1-caShow More⌵

Mol. Formula:
C15H17FO2

M.W.:
248.30

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2289739

Name:
Methyl(1S,3S)-3-[(E)-2-(4-chlorophenyl)vinyl]-2,2-dimethylcyclopropane-1-caShow More⌵

Mol. Formula:
C15H17ClO2

M.W.:
264.75

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2289738

Name:
Methyl(1S,3S)-3-[(Z)-2-(4-chlorophenyl)vinyl]-2,2-dimethylcyclopropane-1-caShow More⌵

Mol. Formula:
C15H17ClO2

M.W.:
264.75

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2289737

Name:
Methyl(1S,3S)-3-[(E)-2-(4-bromophenyl)vinyl]-2,2-dimethylcyclopropane-1-carShow More⌵

Mol. Formula:
C15H17BrO2

M.W.:
309.20

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2286985

Name:
(Z)-Ascaridole

Mol. Formula:
C10H16O2

M.W.:
168.24

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.44

DETAILS

ALA2286984

Name:
2-Carene

Mol. Formula:
C10H16

M.W.:
136.24

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA2286983

Name:
Isoascaridole

Mol. Formula:
C10H16O2

M.W.:
168.24

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
25.06

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS