Compounds

ALA5272488

Name:
2-cyclohexyl-1-(cyclohexylamino)imidazo[5,1-a]isoquinolin-2-ium HydrochloriShow More⌵

Mol. Formula:
C23H30ClN3

M.W.:
383.97

Type:
---

AlogP:
5.63

Polar Surface Area:
20.32

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5272453

Name:
2-ethylhexyl 4-chlorobenzoate

Mol. Formula:
C15H21ClO2

M.W.:
268.78

Type:
---

AlogP:
4.71

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272134

Name:
3-(4-(benzo[d][1,3]dioxol-5-yl)buta-1,3-dien-1-yl)-4-cyclohexyl-5-(isopropyShow More⌵

Mol. Formula:
C22H29N3O2S

M.W.:
399.56

Type:
---

AlogP:
4.96

Polar Surface Area:
46.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5271759

Name:
2-ethylhexyl 4-(tert-butyl)benzoate

Mol. Formula:
C19H30O2

M.W.:
290.45

Type:
---

AlogP:
5.36

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5271381

Name:
oct-4-en-1-yl 4-methylbenzoate

Mol. Formula:
C16H22O2

M.W.:
246.35

Type:
---

AlogP:
4.29

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271085

Name:
3-((3-methoxyphenyl)selanyl)-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5Show More⌵

Mol. Formula:
C22H20O4Se

M.W.:
427.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270251

Name:
2,2-dimethyl-3-(m-tolylselanyl)-3,4-dihydro-2H-benzo[h]chromene-5,6-dione

Mol. Formula:
C22H20O3Se

M.W.:
411.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270249

Name:
2-(4-bromophenyl)-1-butyl-1H-benzo[d]imidazole

Mol. Formula:
C17H17BrN2

M.W.:
329.24

Type:
---

AlogP:
5.27

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5269921

Name:
3-(4-(benzo[d][1,3]dioxol-5-yl)buta-1,3-dien-1-yl)-5-(butylthio)-4-cyclohexShow More⌵

Mol. Formula:
C23H31N3O2S

M.W.:
413.59

Type:
---

AlogP:
5.35

Polar Surface Area:
46.09

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5268845

Name:
Bulbiferamide

Mol. Formula:
C45H64N10O8

M.W.:
873.07

Type:
---

AlogP:
2.54

Polar Surface Area:
278.73

HBA:
9

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5268762

Name:
(E)-N-(pyridin-2-ylmethyl)octadec-9-enamide

Mol. Formula:
C24H40N2O

M.W.:
372.60

Type:
---

AlogP:
6.74

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5268714

Name:
(E)-2-(5-(4-hydroxyphenyl)-3H-1,2-dithiol-3-ylidene)-1-(naphthalen-2-yl)-2-Show More⌵

Mol. Formula:
C33H22O3S3

M.W.:
562.74

Type:
---

AlogP:
9.15

Polar Surface Area:
54.37

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5268574

Name:
1-((2-aminoethyl)amino)dodecan-2-ol

Mol. Formula:
C14H32N2O

M.W.:
244.42

Type:
---

AlogP:
2.43

Polar Surface Area:
58.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5268542

Name:
N-(oct-4-en-1-yl)benzamide

Mol. Formula:
C15H21NO

M.W.:
231.34

Type:
---

AlogP:
3.55

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5268536

Name:
4-benzyl-5-(4-chlorophenyl)-1-(4-hydroxyphenyl)-3-(naphthalen-2-yl)-1H-imidShow More⌵

Mol. Formula:
C65H48Cl2N4O5

M.W.:
1036.03

Type:
---

AlogP:
7.52

Polar Surface Area:
29.04

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5268224

Name:
4-(tert-butyl)-N-(oct-4-en-1-yl)benzamide

Mol. Formula:
C19H29NO

M.W.:
287.45

Type:
---

AlogP:
4.85

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5267982

Name:
3,3'-(piperazine-1,4-diyl)bis(N-(3-cyclohexylpropyl)propan-1-amine)

Mol. Formula:
C28H56N4

M.W.:
448.78

Type:
---

AlogP:
5.28

Polar Surface Area:
30.54

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5267889

Name:
3-(1-methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazShow More⌵

Mol. Formula:
C11H14N4O3

M.W.:
250.26

Type:
---

AlogP:
1.62

Polar Surface Area:
82.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5282338

Name:
4-chloro-N-(2-ethylhexyl)benzamide

Mol. Formula:
C15H22ClNO

M.W.:
267.80

Type:
---

AlogP:
4.29

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5281884

Name:
1-(4-(3-(dimethylamino)propyl)piperazin-1-yl)-2-phenylethan-1-one

Mol. Formula:
C17H27N3O

M.W.:
289.42

Type:
---

AlogP:
1.33

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS