Compounds

ALA5272667

Name:
8-bromo-6-butyl-1-(p-tolyl)-6H-isoxazolo[4,3-e]indole

Mol. Formula:
C20H19BrN2O

M.W.:
383.29

Type:
---

AlogP:
6.32

Polar Surface Area:
30.96

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272646

Name:
7-((1-benzyl-1H-1,2,3-triazol-5-yl)methoxy)-8-(3-(4-chlorophenyl)acryloyl)-Show More⌵

Mol. Formula:
C29H22ClN3O4

M.W.:
511.97

Type:
---

AlogP:
5.87

Polar Surface Area:
87.22

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5272542

Name:
1-cyclopropyl-7-(4-(4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl)piperazinShow More⌵

Mol. Formula:
C31H35N5O7

M.W.:
589.65

Type:
---

AlogP:
2.75

Polar Surface Area:
124.86

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5272527

Name:
bis(4-((2,4-diaminopyrimidin-5-yl)methyl)-2,6-dimethoxyphenyl)bicyclo[2.2.2Show More⌵

Mol. Formula:
C36H42N8O8

M.W.:
714.78

Type:
---

AlogP:
3.66

Polar Surface Area:
245.16

HBA:
16

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5272500

Name:
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-N-[(dimethylamino)methyl]-2,6-dShow More⌵

Mol. Formula:
C18H16ClF2N3O2S

M.W.:
411.86

Type:
---

AlogP:
4.06

Polar Surface Area:
54.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5272483

Name:
methyl 7-amino-5-(2-chlorophenyl)-4-oxo-2-thioxo-2,3,4,5-tetrahydro-1H-pyraShow More⌵

Mol. Formula:
C15H12ClN3O4S

M.W.:
365.80

Type:
---

AlogP:
1.95

Polar Surface Area:
110.20

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5272465

Name:
4-(6,7,8-trimethoxy-10,11-dihydrodibenzo[b,f]oxepin-2-yl)morpholine

Mol. Formula:
C21H25NO5

M.W.:
371.43

Type:
---

AlogP:
3.44

Polar Surface Area:
49.39

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5272449

Name:
1-[3-[(2S,5S,8S,11S,14S,17S,20S)-5,8-bis(3-guanidinopropyl)-11,14,17,20-tetShow More⌵

Mol. Formula:
C62H76N20O7

M.W.:
1213.42

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272329

Name:
2-methoxy-N-[[(5S)-2-oxo-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]Show More⌵

Mol. Formula:
C21H26N4O5

M.W.:
414.46

Type:
---

AlogP:
2.07

Polar Surface Area:
102.88

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272288

Name:
7-chloro-2-(4-chlorostyryl)-3-(4-(oxiran-2-ylmethoxy)phenyl)quinazolin-4(3HShow More⌵

Mol. Formula:
C25H18Cl2N2O3

M.W.:
465.34

Type:
---

AlogP:
5.64

Polar Surface Area:
56.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5272271

Name:
(3S)-10-(3-(2-chloroacetoxy)-8-azabicyclo[3.2.1]octan-8-yl)-9-fluoro-3-methShow More⌵

Mol. Formula:
C22H22ClFN2O6

M.W.:
464.88

Type:
---

AlogP:
3.07

Polar Surface Area:
98.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5272246

Name:
(4S,6S,8S,11S,13S,14R)-14-[(S)-(3,5-dihydroxyphenyl)-hydroxy-methyl]-11,13-Show More⌵

Mol. Formula:
C28H48O6

M.W.:
480.69

Type:
---

AlogP:
5.35

Polar Surface Area:
118.22

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5272221

Name:
N-(4-(4-(Diethylamino)butoxy)-3-methoxybenzyl)nonanamide

Mol. Formula:
C25H44N2O3

M.W.:
420.64

Type:
---

AlogP:
5.56

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5272217

Name:
6-(((1-(2-(3-fluoro-5-(2-hydroxyethyl)-6-oxo-5,6-dihydro-1,5-naphthyridin-4Show More⌵

Mol. Formula:
C27H30FN5O5

M.W.:
523.57

Type:
---

AlogP:
2.06

Polar Surface Area:
127.60

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272211

Name:
3-amino-4-oxo-4H-thieno[3,2-c]chromene-2-carbohydrazide

Mol. Formula:
C12H9N3O3S

M.W.:
275.29

Type:
---

AlogP:
1.19

Polar Surface Area:
111.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5272209

Name:
8-bromo-3,4-dimethoxy-10,11-dihydrodibenzo[b,f]oxepin-2-ol

Mol. Formula:
C16H15BrO4

M.W.:
351.20

Type:
---

AlogP:
4.06

Polar Surface Area:
47.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5272186

Name:
4-hydroxy-3-(1-phenyl-1H-pyrazol-3-yl)-2H-chromen-2-one

Mol. Formula:
C18H12N2O3

M.W.:
304.31

Type:
---

AlogP:
3.35

Polar Surface Area:
68.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5272178

Name:
3-(3-fluorophenyl)-1-(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyShow More⌵

Mol. Formula:
C31H21F2N5O2

M.W.:
533.54

Type:
---

AlogP:
6.15

Polar Surface Area:
72.61

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272169

Name:
7-chloro-2-(4-chlorostyryl)-3-(4-hydroxyphenyl)quinazolin-4(3H)-one

Mol. Formula:
C22H14Cl2N2O2

M.W.:
409.27

Type:
---

AlogP:
5.57

Polar Surface Area:
55.12

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5272168

Name:
7-amino-2,4-dioxo-5-(pyridin-4-yl)-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimShow More⌵

Mol. Formula:
C13H9N5O3

M.W.:
283.25

Type:
---

AlogP:
-0.32

Polar Surface Area:
137.65

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS