Compounds

ALA5271389

Name:
Ieodoglycolipid

Mol. Formula:
C31H58O13

M.W.:
638.79

Type:
---

AlogP:
0.29

Polar Surface Area:
215.83

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5270963

Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-methyl-2-oxo-1-oxaShow More⌵

Mol. Formula:
C34H48O13

M.W.:
664.75

Type:
---

AlogP:
1.37

Polar Surface Area:
209.51

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5270651

Name:
1-((2,2-diphenylhydrazinyl)(phenyl)methyl)-4,5-diphenyl-2-(2,3,4-trimethoxyShow More⌵

Mol. Formula:
C43H38N4O3

M.W.:
658.80

Type:
---

AlogP:
9.80

Polar Surface Area:
60.78

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5268788

Name:
4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)-5'-isobutylspiro[indoline-3,2'-pyrrShow More⌵

Mol. Formula:
C28H26BrFN2O2

M.W.:
521.43

Type:
---

AlogP:
6.04

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268684

Name:
2-(5-bromo-2-ethoxy-3H-indol-3-ylidene)-1-(2-hydroxyphenyl)ethan-1-one

Mol. Formula:
C18H14BrNO3

M.W.:
372.22

Type:
---

AlogP:
4.50

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5268575

Name:
4'-(4-chlorophenyl)-3'-(4-fluorobenzoyl)-5'-(hydroxymethyl)spiro[indoline-3Show More⌵

Mol. Formula:
C25H20ClFN2O3

M.W.:
450.90

Type:
---

AlogP:
3.87

Polar Surface Area:
78.43

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5268354

Name:
2-(2-ethoxy-3H-indol-3-ylidene)-1-(4-nitrophenyl)ethan-1-one

Mol. Formula:
C18H14N2O4

M.W.:
322.32

Type:
---

AlogP:
3.94

Polar Surface Area:
81.80

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5267834

Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacycloteShow More⌵

Mol. Formula:
C24H36O5

M.W.:
404.55

Type:
---

AlogP:
3.92

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5282721

Name:
7-amino-5-(3-chlorophenyl)-6-cyano-2-[(4-methoxyphenyl)amino]-N-phenylpyrazShow More⌵

Mol. Formula:
C27H20ClN7O2

M.W.:
509.96

Type:
---

AlogP:
5.51

Polar Surface Area:
130.36

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5281943

Name:
5-amino-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-(methylsulfanyl)-7-(thiophenShow More⌵

Mol. Formula:
C20H15N7S2

M.W.:
417.52

Type:
---

AlogP:
4.19

Polar Surface Area:
97.82

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5281340

Name:
3'-(4-fluorobenzoyl)-5'-isobutyl-4'-phenylspiro[indoline-3,2'-pyrrolidin]-2Show More⌵

Mol. Formula:
C28H27FN2O2

M.W.:
442.53

Type:
---

AlogP:
5.27

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5279637

Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,24R)-14,16-dihydroxy-24-methyl-8-{[(2R,3S,4R,5Show More⌵

Mol. Formula:
C30H46O10

M.W.:
566.69

Type:
---

AlogP:
1.74

Polar Surface Area:
166.14

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5279385

Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14-hydroxy-16-methoxy-24-methyl-8-{[(Show More⌵

Mol. Formula:
C31H46O10

M.W.:
578.70

Type:
---

AlogP:
2.17

Polar Surface Area:
155.14

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5278740

Name:
1-((2-(naphthalen-1-yl)-2-phenylhydrazinyl)(phenyl)methyl)-4,5-diphenyl-2-(Show More⌵

Mol. Formula:
C47H40N4O3

M.W.:
708.86

Type:
---

AlogP:
10.95

Polar Surface Area:
60.78

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5276434

Name:
4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)-5'-(hydroxymethyl)spiro[indoline-3,Show More⌵

Mol. Formula:
C25H20BrFN2O3

M.W.:
495.35

Type:
---

AlogP:
3.98

Polar Surface Area:
78.43

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5275015

Name:
Ieodoglucomide C

Mol. Formula:
C29H51NO12

M.W.:
605.72

Type:
---

AlogP:
2.27

Polar Surface Area:
209.15

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5274961

Name:
7-amino-N-(4-chlorophenyl)-6-cyano-2-[(4-methoxyphenyl)amino]-5-(3-methylphShow More⌵

Mol. Formula:
C28H22ClN7O2

M.W.:
523.98

Type:
---

AlogP:
5.82

Polar Surface Area:
130.36

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5274211

Name:
(-)-Untenospongin B

Mol. Formula:
C21H26O3

M.W.:
326.44

Type:
---

AlogP:
5.55

Polar Surface Area:
46.51

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5273575

Name:
N-((4,5-diphenyl-2-(2,3,4-trimethoxyphenyl)-1H-imidazol-1-yl)(phenyl)methylShow More⌵

Mol. Formula:
C36H38N4O3

M.W.:
574.73

Type:
---

AlogP:
7.45

Polar Surface Area:
60.78

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5273321

Name:
2-(2-ethoxy-3H-indol-3-ylidene)-1-(2-hydroxyphenyl)ethan-1-one

Mol. Formula:
C18H15NO3

M.W.:
293.32

Type:
---

AlogP:
3.74

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS