Compounds

ALA2114424

Name:
Methyl-naphthalen-1-ylmethyl-non-2-en-4-ynyl-amine

Mol. Formula:
C21H25N

M.W.:
291.44

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2093009

Name:
Benzo[b]thiophen-3-ylmethyl-methyl-(3-phenyl-allyl)-amine

Mol. Formula:
C19H19NO

M.W.:
277.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
16.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA553233

Name:
(6,6-Dimethyl-hept-2-en-4-ynyl)-(3-fluoro-benzo[b]thiophen-7-ylmethyl)-methShow More⌵

Mol. Formula:
C19H23ClFNS

M.W.:
351.92

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA540346

Name:
(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-(3-trifluoromethyl-benzo[b]thiophen-Show More⌵

Mol. Formula:
C20H23ClF3NS

M.W.:
401.93

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA539318

Name:
(7-Chloro-benzo[b]thiophen-3-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA541614

Name:
(5-Chloro-benzo[b]thiophen-7-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA540085

Name:
Benzo[b]thiophen-4-ylmethyl-(6,6-dimethyl-hept-2-en-4-ynyl)-methyl-amine hyShow More⌵

Mol. Formula:
C19H24ClNS

M.W.:
333.93

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA539314

Name:
(3-Chloro-benzo[b]thiophen-4-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA552561

Name:
N-[1-(5-Chloro-thiophen-2-yl)-2-imidazol-1-yl-ethylidene]-N'-(2,6-dichloro-Show More⌵

Mol. Formula:
C15H12Cl4N4S

M.W.:
422.17

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
42.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA537250

Name:
(3-Chloro-benzo[b]thiophen-7-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

16 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA534450

Name:
Benzo[b]thiophen-3-ylmethyl-(6,6-dimethyl-hept-2-en-4-ynyl)-methyl-amine hyShow More⌵

Mol. Formula:
C19H24ClNS

M.W.:
333.93

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA545123

Name:
(3-Bromo-benzo[b]thiophen-7-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methyShow More⌵

Mol. Formula:
C19H23BrClNS

M.W.:
412.82

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA543713

Name:
Benzo[b]thiophen-7-ylmethyl-(6,6-dimethyl-hept-2-en-4-ynyl)-methyl-amine hyShow More⌵

Mol. Formula:
C19H24ClNS

M.W.:
333.93

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA543710

Name:
(6,6-Dimethyl-hept-2-en-4-ynyl)-(2-fluoro-benzo[b]thiophen-7-ylmethyl)-methShow More⌵

Mol. Formula:
C19H23ClFNS

M.W.:
351.92

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA543480

Name:
(2-Chloro-benzo[b]thiophen-4-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA542774

Name:
(4-Chloro-benzo[b]thiophen-7-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA552812

Name:
(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-(3-methyl-benzo[b]thiophen-7-ylmethyShow More⌵

Mol. Formula:
C20H26ClNS

M.W.:
347.96

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA542037

Name:
7-{[(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amino]-methyl}-benzo[b]thiopheneShow More⌵

Mol. Formula:
C20H23ClN2S

M.W.:
358.94

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
27.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA542035

Name:
(6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-(3-methylsulfanyl-benzo[b]thiophen-7Show More⌵

Mol. Formula:
C20H26ClNS2

M.W.:
380.02

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
3.24

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA544883

Name:
(2-Chloro-benzo[b]thiophen-7-ylmethyl)-(6,6-dimethyl-hept-2-en-4-ynyl)-methShow More⌵

Mol. Formula:
C19H23Cl2NS

M.W.:
368.37

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS