Compounds

ALA5272494

Name:
2-((4-cyanobenzoyl)selanyl)acetic acid

Mol. Formula:
C10H7NO3Se

M.W.:
268.13

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272150

Name:
N-hydroxy-3-(4-((2-oxospiro[indoline-3,2'-[1,3]dioxolan]-1-yl)methyl)phenylShow More⌵

Mol. Formula:
C20H18N2O5

M.W.:
366.37

Type:
---

AlogP:
1.95

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5271799

Name:
Strecacansamycin C

Mol. Formula:
C42H60N2O13

M.W.:
800.94

Type:
---

AlogP:
3.21

Polar Surface Area:
233.57

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5271616

Name:
1-(4-((3-bromophenyl)amino)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-3-(4-Show More⌵

Mol. Formula:
C21H15BrClF3N6O

M.W.:
539.74

Type:
---

AlogP:
6.79

Polar Surface Area:
83.87

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5270905

Name:
(3S,3'R,4'S)-1',1''-dimethyl-5''-((E)-4-methylbenzylidene)-1-(morpholinometShow More⌵

Mol. Formula:
C37H42N4O3

M.W.:
590.77

Type:
---

AlogP:
4.45

Polar Surface Area:
56.33

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5270471

Name:
Lepidozin F

Mol. Formula:
C30H50O3

M.W.:
458.73

Type:
---

AlogP:
6.28

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5269738

Name:
2-((2-phenylacetyl)selanyl)acetic acid

Mol. Formula:
C10H10O3Se

M.W.:
257.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269669

Name:
(8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-2-((3,4,5-trimethoxybenShow More⌵

Mol. Formula:
C40H60O6

M.W.:
636.91

Type:
---

AlogP:
8.67

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5269634

Name:
Strecacansamycin A

Mol. Formula:
C36H48N2O8

M.W.:
636.79

Type:
---

AlogP:
4.98

Polar Surface Area:
143.42

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5269562

Name:
benzyl N-(4-{4-[(quinolin-4-yl)amino]benzamido}phenyl)carbamate

Mol. Formula:
C30H24N4O3

M.W.:
488.55

Type:
---

AlogP:
6.98

Polar Surface Area:
92.35

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5269493

Name:
5'-bromo-7a,12b-dihydro-6H,8H-spiro[indeno[2',1':5,6]pyrano[3,2-c]chromene-Show More⌵

Mol. Formula:
C26H14BrNO5

M.W.:
500.30

Type:
---

AlogP:
4.74

Polar Surface Area:
85.61

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5269134

Name:
Lepidozin G

Mol. Formula:
C30H48O4

M.W.:
472.71

Type:
---

AlogP:
5.60

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5269117

Name:
(1'S,3R,3'S,7a'R)-5''-fluoro-1,1''-dimethyl-1'-(3-methyl-4-nitroisoxazol-5-Show More⌵

Mol. Formula:
C27H24FN5O5

M.W.:
517.52

Type:
---

AlogP:
3.38

Polar Surface Area:
113.03

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5268849

Name:
(8R,10R,12R,14R)-12-hydroxy-2-((4-methoxybenzylidene)-4,4,8,10,14-pentamethShow More⌵

Mol. Formula:
C38H56O4

M.W.:
576.86

Type:
---

AlogP:
8.65

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5268369

Name:
(123I)-(2-Hydroxyethyl)-[6-(3-iodophenoxy)hexyl]-dimethylammonium Bromide

Mol. Formula:
C16H27BrINO2

M.W.:
468.21

Type:
---

AlogP:
3.30

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5268248

Name:
(E)-1-(4-((6'-(4-cinnamoylphenoxy)-4'l5,6l5,6'l5-dispiro[dibenzo[d,f][1,3,2Show More⌵

Mol. Formula:
C55H40N3O8P3

M.W.:
963.86

Type:
---

AlogP:
16.37

Polar Surface Area:
126.60

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5268065

Name:
Strecacansamycin B

Mol. Formula:
C36H48N2O8

M.W.:
636.79

Type:
---

AlogP:
4.98

Polar Surface Area:
143.42

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5267921

Name:
(3R,5aS,6S,7R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1Show More⌵

Mol. Formula:
C43H44O10S2

M.W.:
784.95

Type:
---

AlogP:
9.21

Polar Surface Area:
107.98

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5267835

Name:
4-((6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C17H14ClN3O3

M.W.:
343.77

Type:
---

AlogP:
2.53

Polar Surface Area:
84.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5280145

Name:
(3R,3'S,4'R)-5-chloro-4'-(2,4-dichlorophenyl)-1'-methyl-3'-(3-methyl-4-nitrShow More⌵

Mol. Formula:
C22H17Cl3N4O4

M.W.:
507.76

Type:
---

AlogP:
5.51

Polar Surface Area:
101.51

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS