Compounds

ALA5271562

Name:
2-amino-5'-chloro-2',5-dioxo-5H-spiro[cyclopenta[b]pyran-4,3'-indoline]-3-cShow More⌵

Mol. Formula:
C16H8ClN3O3

M.W.:
325.71

Type:
---

AlogP:
1.65

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5279905

Name:
5-Chloro-N4-(4-methoxyphenyl)-N4,2-dimethyl-N6-propylpyrimidine-4,6-diamine

Mol. Formula:
C16H21ClN4O

M.W.:
320.82

Type:
---

AlogP:
4.04

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5278050

Name:
Ohmline

Mol. Formula:
C32H62O13

M.W.:
654.84

Type:
---

AlogP:
1.14

Polar Surface Area:
196.99

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5274887

Name:
2-amino-5'-iodo-2',5-dioxo-5H-spiro[indeno[1,2-b]pyran-4,3'-indoline]-3-carShow More⌵

Mol. Formula:
C20H10IN3O3

M.W.:
467.22

Type:
---

AlogP:
2.81

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5274683

Name:
2-amino-5'-bromo-2',5-dioxo-5H-spiro[indeno[1,2-b]pyran-4,3'-indoline]-3-caShow More⌵

Mol. Formula:
C20H10BrN3O3

M.W.:
420.22

Type:
---

AlogP:
2.97

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5273080

Name:
2-(3,4-dimethoxyphenyl)-3-(naphthalen-2-yl)acrylonitrile

Mol. Formula:
C21H17NO2

M.W.:
315.37

Type:
---

AlogP:
4.92

Polar Surface Area:
42.25

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5272976

Name:
4-(4-(3,4-dichlorophenoxy)phenyl)thiophen-2-aminium Iodide

Mol. Formula:
C16H12Cl2INOS

M.W.:
464.16

Type:
---

AlogP:
6.10

Polar Surface Area:
35.25

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5286477

Name:
2-amino-5'-fluoro-2',5-dioxo-5H-spiro[indeno[1,2-b]pyran-4,3'-indoline]-3-cShow More⌵

Mol. Formula:
C20H10FN3O3

M.W.:
359.32

Type:
---

AlogP:
2.35

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5282982

Name:
1-(7-methoxy-1-(10H-phenothiazine-3-carbonyl)indolizin-3-yl)ethan-1-one

Mol. Formula:
C24H18N2O3S

M.W.:
414.49

Type:
---

AlogP:
5.59

Polar Surface Area:
59.81

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5289810

Name:
2-amino-5'-chloro-2',5-dioxo-5H-spiro[indeno[1,2-b]pyran-4,3'-indoline]-3-cShow More⌵

Mol. Formula:
C20H10ClN3O3

M.W.:
375.77

Type:
---

AlogP:
2.86

Polar Surface Area:
105.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5208776

Name:
Phomopchalasin D

Mol. Formula:
C30H39NO5

M.W.:
493.64

6 activity values

6 unique targets

Type:
---

AlogP:
3.43

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5207824

Name:
Phomopchalasin F

Mol. Formula:
C30H38INO4

M.W.:
603.54

6 activity values

6 unique targets

Type:
---

AlogP:
4.87

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5207262

Name:
Cytochalasin J3

Mol. Formula:
C27H33NO3

M.W.:
419.57

6 activity values

6 unique targets

Type:
---

AlogP:
3.51

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5204772

Name:
Phomopchalasin O

Mol. Formula:
C28H37NO4

M.W.:
451.61

6 activity values

6 unique targets

Type:
---

AlogP:
3.17

Polar Surface Area:
89.79

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5198460

Name:
Cytochalasin H

Mol. Formula:
C30H39NO5

M.W.:
493.64

6 activity values

6 unique targets

Type:
---

AlogP:
3.74

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5198126

Name:
Cytochalasin U

Mol. Formula:
C30H39NO5

M.W.:
493.64

6 activity values

6 unique targets

Type:
---

AlogP:
3.74

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5194460

Name:
Phomopchalasin H

Mol. Formula:
C28H34INO3

M.W.:
559.49

6 activity values

6 unique targets

Type:
---

AlogP:
4.32

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5192290

Name:
Phomopsichalasin D

Mol. Formula:
C30H37NO6

M.W.:
507.63

6 activity values

6 unique targets

Type:
---

AlogP:
3.83

Polar Surface Area:
112.93

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5183562

Name:
Phomopchalasin L

Mol. Formula:
C28H35NO4

M.W.:
449.59

6 activity values

6 unique targets

Type:
---

AlogP:
3.62

Polar Surface Area:
78.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5183097

Name:
Phomopchalasin G

Mol. Formula:
C29H35NO4

M.W.:
461.60

6 activity values

6 unique targets

Type:
---

AlogP:
4.08

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS