Compounds

ALA5267658

Name:
2-ethylhexyl 4-nitrobenzoate

Mol. Formula:
C15H21NO4

M.W.:
279.34

Type:
---

AlogP:
3.97

Polar Surface Area:
69.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5267364

Name:
4-(naphthalen-1-yl)-2-phenyl-1H-imidazole

Mol. Formula:
C19H14N2

M.W.:
270.33

Type:
---

AlogP:
4.90

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5265788

Name:
N'-(2-Nitrobenzylidene)benzenesulfonohydrazide

Mol. Formula:
C13H11N3O4S

M.W.:
305.32

Type:
---

AlogP:
1.91

Polar Surface Area:
101.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

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

ALA5281873

Name:
Gibbilimbol B

Mol. Formula:
C17H24O3

M.W.:
276.38

Type:
---

AlogP:
4.47

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5281580

Name:
2-ethylhexyl 4-fluorobenzoate

Mol. Formula:
C15H21FO2

M.W.:
252.33

Type:
---

AlogP:
4.20

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5281431

Name:
5-(4-(benzo[d][1,3]dioxol-5-yl)buta-1,3-dien-1-yl)-4-cyclohexyl-2,4-dihydroShow More⌵

Mol. Formula:
C19H21N3O2S

M.W.:
355.46

Type:
---

AlogP:
4.90

Polar Surface Area:
52.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5280427

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

Mol. Formula:
C15H20ClNO

M.W.:
265.78

Type:
---

AlogP:
4.21

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5280402

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

Mol. Formula:
C16H23NO

M.W.:
245.37

Type:
---

AlogP:
3.86

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5280258

Name:
3-((3-bromophenyl)selanyl)-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6Show More⌵

Mol. Formula:
C21H17BrO3Se

M.W.:
476.23

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280232

Name:
Tachyplesin I

Mol. Formula:
C99H151N35O19S4

M.W.:
2263.79

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279868

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

Mol. Formula:
C15H20O2

M.W.:
232.32

Type:
---

AlogP:
3.98

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5279456

Name:
2-(1-(3,4-dichlorophenyl)pentylidene)hydrazinecarboselenoamide

Mol. Formula:
C12H15Cl2N3Se

M.W.:
351.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279057

Name:
N-(2-ethylhexyl)-4-fluorobenzamide

Mol. Formula:
C15H22FNO

M.W.:
251.34

Type:
---

AlogP:
3.77

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5278931

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

Mol. Formula:
C16H23NO2

M.W.:
261.36

Type:
---

AlogP:
3.56

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5278916

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

Mol. Formula:
C16H22O3

M.W.:
262.35

Type:
---

AlogP:
3.99

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5278760

Name:
(1R,2R)-N-(1-cyanocyclopropyl)-2-((2R)-4-(4-cyclopropyl-3-methoxycyclohexa-Show More⌵

Mol. Formula:
C27H38N4O3

M.W.:
466.63

Type:
---

AlogP:
2.99

Polar Surface Area:
85.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278654

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

Mol. Formula:
C15H20FNO

M.W.:
249.33

Type:
---

AlogP:
3.69

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278447

Name:
2-ethylhexyl 4-methylbenzoate

Mol. Formula:
C16H24O2

M.W.:
248.37

Type:
---

AlogP:
4.37

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS