Compounds

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
244.76

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4798940

Name:
7-[2-Deoxy-alpha-L-fucopyranosyl-(1->4)-3-dimethylamino-2,3-dideoxy-alpha-LShow More⌵

Mol. Formula:
C36H45NO13

M.W.:
699.75

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
201.75

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4796372

Name:
7-[2-Deoxy-alpha-L-fucopyranosyl-(1->4)-3-amino-2,3-dideoxy-alpha-L-fucopyrShow More⌵

Mol. Formula:
C33H39NO14

M.W.:
673.67

Type:
Unknown

AlogP:
-0.12

Polar Surface Area:
244.76

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4785287

Name:
7-[2,3-Dideoxy-4-ulo-alpha-L-fucopyranosyl-2-deoxy-alpha-L-fucopyranosyl-(1Show More⌵

Mol. Formula:
C41H51NO16

M.W.:
813.85

13 activity values

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
237.28

HBA:
17

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4762286

Name:
7-[2-Deoxy-alpha-L-fucopyranosyl-(1->4)-3-dimethylamino-2,3-dideoxy-alpha-LShow More⌵

Mol. Formula:
C35H43NO14

M.W.:
701.72

Type:
Unknown

AlogP:
0.49

Polar Surface Area:
221.98

HBA:
15

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4762068

Name:
7-[2,3-Dideoxy-4-ulo-alpha-L-fucopyranosyl-2-deoxy-alpha-L-fucopyranosyl-(1Show More⌵

Mol. Formula:
C39H47NO16

M.W.:
785.80

Type:
Unknown

AlogP:
1.00

Polar Surface Area:
260.06

HBA:
17

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4757229

Name:
7-[alpha-L-Rhodosamino]-aklavinone

Mol. Formula:
C31H37NO10

M.W.:
583.63

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
152.06

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4753332

Name:
3',3'-Didesmethyl-aclarubicin

Mol. Formula:
C40H49NO15

M.W.:
783.82

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
239.83

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4743488

Name:
7-[alpha-L-Daunosamino]-aklavinone

Mol. Formula:
C28H31NO10

M.W.:
541.55

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
185.84

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4567871

Name:
5-(4-N-(12-N-Biotinylaminododecyl)pyridyl-10,15,20-tris(4-N-methylpyridyl)-Show More⌵

Mol. Formula:
C65H75Br4N11O2S

M.W.:
1394.07

6 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4567780

Name:
9-(4-(4,6-diamino-1,3,5-triazin-2-ylamino)butylamino)-N-methylacridine-4-caShow More⌵

Mol. Formula:
C22H25N9O

M.W.:
431.50

7 activity values

2 unique targets

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
156.76

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4537997

Name:
NA

Mol. Formula:
C24H27N9O

M.W.:
457.54

3 unique targets

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
142.77

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4536925

Name:
(6S,9S,14S,18S)-1-amino-6-(4-(5-(benzyloxy)-7-carbamoyl-1-(chloromethyl)-1,Show More⌵

Mol. Formula:
C48H58ClN11O13

M.W.:
1032.51

8 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4533990

Name:
Ethyl 2-(acridin-9-ylmethyleneamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-Show More⌵

Mol. Formula:
C24H20N2O2S

M.W.:
400.50

1 activity values

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
51.55

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4514582

Name:
2-(acridin-9-ylmethyleneamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbShow More⌵

Mol. Formula:
C22H17N3OS

M.W.:
371.47

1 activity values

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
68.34

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4465089

Name:
2-(6-chloro-2-methoxyacridin-9-ylamino)-5,6-dihydro-4H-cyclopenta[b]thiopheShow More⌵

Mol. Formula:
C22H16ClN3OS

M.W.:
405.91

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.22

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4458806

Name:
2-(acridin-9-ylmethyleneamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbShow More⌵

Mol. Formula:
C22H15N3S

M.W.:
353.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
49.04

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4452530

Name:
(6S,9S,14S,18S)-1-amino-6-(4-(7-carbamoyl-1-(chloromethyl)-5-hydroxy-1,2,3,Show More⌵

Mol. Formula:
C41H52ClN11O13

M.W.:
942.38

12 activity values

3 unique targets

Type:
Unknown

AlogP:
0.63

Polar Surface Area:
401.65

HBA:
11

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4443767

Name:
6-(4-aminobenzoyl)-8-(chloromethyl)-4-hydroxy-3,6,7,8-tetrahydropyrrolo[3,2Show More⌵

Mol. Formula:
C19H17ClN4O3

M.W.:
384.82

10 activity values