Compounds

ALA4593875

Name:
4-[4-[4-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-Show More⌵

Mol. Formula:
C48H56O14

M.W.:
856.96

6 activity values

2 unique targets

Type:
Unknown

AlogP:
9.27

Polar Surface Area:
182.58

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4592927

Name:
4-[4-[[2-bromo-3-[[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-Show More⌵

Mol. Formula:
C52H57BrO14

M.W.:
985.92

6 activity values

2 unique targets

Type:
Unknown

AlogP:
11.18

Polar Surface Area:
182.58

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4558550

Name:
4-[4-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-Show More⌵

Mol. Formula:
C49H50O14

M.W.:
862.92

6 activity values

2 unique targets

Type:
Unknown

AlogP:
9.95

Polar Surface Area:
190.42

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4550507

Name:
4-[4-[5-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-Show More⌵

Mol. Formula:
C56H62O18

M.W.:
1023.09

6 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4540375

Name:
4-[4-[[6-[[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxShow More⌵

Mol. Formula:
C51H57NO14

M.W.:
908.01

6 activity values

2 unique targets

Type:
Unknown

AlogP:
9.81

Polar Surface Area:
195.47

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4526958

Name:
4-[4-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-Show More⌵

Mol. Formula:
C48H48O14

M.W.:
848.90

6 activity values

2 unique targets

Type:
Unknown

AlogP:
9.64

Polar Surface Area:
190.42

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4520122

Name:
4-[4-[(2S,3S)-4-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-Show More⌵

Mol. Formula:
C48H58O16

M.W.:
890.98

6 activity values

2 unique targets

Type:
Unknown

AlogP:
7.44

Polar Surface Area:
223.04

HBA:
14

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4471291

Name:
bis[4-[4-(dimethoxymethoxycarbonyl)-3-methoxy-2,5,6-trimethyl-phenoxy]carboShow More⌵

Mol. Formula:
C62H74O22

M.W.:
1171.25

6 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4467667

Name:
[4-(dimethoxymethoxycarbonyl)-3-methoxy-2,5,6-trimethyl-phenyl]4-[[6-[[4-[4Show More⌵

Mol. Formula:
C57H69NO18

M.W.:
1056.17

6 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4467497

Name:
4-[4-[[(4S,5S)-5-[[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-Show More⌵

Mol. Formula:
C49H56O17

M.W.:
916.97

6 activity values

2 unique targets

Type:
Unknown

AlogP:
8.62

Polar Surface Area:
218.11

HBA:
15

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4466606

Name:
Thielocin A1beta

Mol. Formula:
C54H60O18

M.W.:
997.06

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.83

Polar Surface Area:
257.18

HBA:
16

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4466056

Name:
4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylShow More⌵

Mol. Formula:
C22H26O7

M.W.:
402.44

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
102.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4453829

Name:
4-[4-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-Show More⌵

Mol. Formula:
C47H46O14

M.W.:
834.87

6 activity values

2 unique targets

Type:
Unknown

AlogP:
9.33

Polar Surface Area:
190.42

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4447106

Name:
Thielocin B3

Mol. Formula:
C64H70O18

M.W.:
1127.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4445455

Name:
[4-(dimethoxymethoxycarbonyl)-3-methoxy-2,5,6-trimethyl-phenyl]4-[[2-bromo-Show More⌵

Mol. Formula:
C58H69BrO18

M.W.:
1134.08

6 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4443738

Name:
4-[4-[5-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-Show More⌵

Mol. Formula:
C54H58O18

M.W.:
995.04

6 activity values

2 unique targets

Type:
Unknown

AlogP:
9.72

Polar Surface Area:
257.18

HBA:
16

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4435319

Name:
Thielocin B1

Mol. Formula:
C53H58O17

M.W.:
967.03

6 activity values

2 unique targets

Type:
Unknown

AlogP:
10.30

Polar Surface Area:
240.11

HBA:
15

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA1097925

Name:
(S)-2-hydroxy-2-(((S,E)-4-(hydroxy((1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,Show More⌵

Mol. Formula:
C23H33NO6

M.W.:
419.52

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
115.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS