Compounds

ALA5272635

Name:
1-(3-methyl-1-phenyl-5-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-4-yl)-3-(1H-pyrroShow More⌵

Mol. Formula:
C27H20N8

M.W.:
456.51

Type:
---

AlogP:
5.22

Polar Surface Area:
81.62

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5272584

Name:
(3S,5aS,6R,8aS,9R,10R,12R,12aR)-10-(but-3-yn-1-yloxy)-3,6,9-trimethyldecahyShow More⌵

Mol. Formula:
C19H28O5

M.W.:
336.43

Type:
---

AlogP:
3.23

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5272579

Name:
3-(benzylsulfonyl)-7,8,15,16-tetraoxa-3-azadispiro[5.2.5.2]hexadecane

Mol. Formula:
C18H25NO6S

M.W.:
383.47

Type:
---

AlogP:
2.88

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5272498

Name:

Mol. Formula:
C21H34N2O5

M.W.:
394.51

Type:
---

AlogP:
3.22

Polar Surface Area:
92.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272390

Name:
6-chloro-2-methoxy-N-(2-(4-(2-(((3S,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimeShow More⌵

Mol. Formula:
C37H49ClN4O6

M.W.:
681.27

Type:
---

AlogP:
6.30

Polar Surface Area:
86.78

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5272240

Name:
(S)-4-((2-(1-(4-(4-methyl-4,5-dihydrooxazol-2-yl)phenethyl)piperidin-4-ylamShow More⌵

Mol. Formula:
C32H34N6O

M.W.:
518.67

Type:
---

AlogP:
5.24

Polar Surface Area:
78.47

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5272234

Name:
methyl (4R)-4-((5R,8R,9S,10S,12S,13R,14S,17R)-12-acetoxy-10,13-dimethyl-5'-Show More⌵

Mol. Formula:
C35H47F3O7

M.W.:
636.75

Type:
---

AlogP:
7.87

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5272191

Name:
(3S,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyl-10-(trifluoromethyl)decahydro-1Show More⌵

Mol. Formula:
C16H23F3O5

M.W.:
352.35

Type:
---

AlogP:
3.12

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5272187

Name:
4-amino-2-chloro-5-(5-mercapto-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)beShow More⌵

Mol. Formula:
C15H14ClN5O3S2

M.W.:
411.90

Type:
---

AlogP:
2.11

Polar Surface Area:
126.12

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5272123

Name:
phenyl (2-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epShow More⌵

Mol. Formula:
C41H61O12P

M.W.:
776.90

Type:
---

AlogP:
8.88

Polar Surface Area:
118.60

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5272113

Name:
Diethyl (3-(N-hydroxy-3-((3S,5aS,6R,8aS,9R,10R,12R)-3,6,9-trimethyldecahydrShow More⌵

Mol. Formula:
C25H44NO9P

M.W.:
533.60

Type:
---

AlogP:
4.89

Polar Surface Area:
112.99

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5272098

Name:
N1-(2-(4-bromostyryl)quinolin-4-yl)-N2,N2-dimethylethane-1,2-diamine

Mol. Formula:
C21H22BrN3

M.W.:
396.33

Type:
---

AlogP:
5.14

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5272074

Name:
2-azido-N-{2-[(7-chloroquinolin-4-yl)amino]ethyl}acetamide

Mol. Formula:
C13H13ClN6O

M.W.:
304.74

Type:
---

AlogP:
2.73

Polar Surface Area:
102.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272072

Name:
ethyl N-(4-(3-(naphthalen-2-yl)-3-oxoprop-1-en-1-yl)phenoxy)acetimidate

Mol. Formula:
C23H21NO3

M.W.:
359.43

Type:
---

AlogP:
5.48

Polar Surface Area:
47.89

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5271991

Name:
1-(1,1-difluoro-2-((3R,5aS,6R,8aS,9R,10R,12S,12aR)-3,6,9-trimethyldecahydroShow More⌵

Mol. Formula:
C40H54F4O8

M.W.:
738.86

Type:
---

AlogP:
9.15

Polar Surface Area:
73.84

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5271973

Name:
4-oxo-4-(((3S,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyl-10-(trifluoromethyl)dShow More⌵

Mol. Formula:
C20H27F3O8

M.W.:
452.42

Type:
---

AlogP:
3.53

Polar Surface Area:
100.52

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5271875

Name:
(R)-4-((2-(1-(4-(5-methyl-4,5-dihydrooxazol-2-yl)phenethyl)piperidin-4-ylamShow More⌵

Mol. Formula:
C32H34N6O

M.W.:
518.67

Type:
---

AlogP:
5.24

Polar Surface Area:
78.47

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5271860

Name:
4-(2-(4-(Dispiro[Adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-3''-yShow More⌵

Mol. Formula:
C28H39NO5

M.W.:
469.62

Type:
---

AlogP:
4.88

Polar Surface Area:
49.39

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5271845

Name:
[(S)-(7-methoxy-1-naphthyl)-(5-vinyl-2-bicyclo[2.2.2]octanyl)methyl](2S)-2-Show More⌵

Mol. Formula:
C41H50N2O5

M.W.:
650.86

Type:
---

AlogP:
7.49

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5271809

Name:
1,2-bis(propan-2-yl) 3-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-5-(3,4,5-Show More⌵

Mol. Formula:
C31H42N2O8

M.W.:
570.68

Type:
---

AlogP:
6.86

Polar Surface Area:
96.00

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS