Compounds

Type:
---

AlogP:
3.28

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5208264

Name:
Steckwaic acid A

Mol. Formula:
C18H18O3

M.W.:
282.34

Type:
---

AlogP:
3.60

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5207965

Name:
11-Ketotanzawaic acid D

Mol. Formula:
C18H20O4

M.W.:
300.35

Type:
---

AlogP:
3.09

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5207587

Name:
Tanzawaic acid X

Mol. Formula:
C18H22O3

M.W.:
286.37

Type:
---

AlogP:
3.31

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5207107

Name:
15S-Methoxytanzawaic acid M

Mol. Formula:
C19H28O4

M.W.:
320.43

Type:
---

AlogP:
3.05

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5204922

Name:
Asperochrin C

Mol. Formula:
C9H14O5

M.W.:
202.21

3 activity values

3 unique targets

Type:
---

AlogP:
-1.04

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5202564

Name:
Steckwaic acid D

Mol. Formula:
C18H18O4

M.W.:
298.34

Type:
---

AlogP:
2.79

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5195512

Name:
8-Hydroxytanzawaic acid B

Mol. Formula:
C18H26O3

M.W.:
290.40

Type:
---

AlogP:
3.42

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5191742

Name:
Arohynapene

Mol. Formula:
C18H22O3

M.W.:
286.37

Type:
---

AlogP:
3.83

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5188861

Name:
6,15-Dihydroxytanzawaic acid M

Mol. Formula:
C18H26O5

M.W.:
322.40

Type:
---

AlogP:
1.51

Polar Surface Area:
97.99

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5184763

Name:
15R-Methoxytanzawaic acid M

Mol. Formula:
C19H28O4

M.W.:
320.43

Type:
---

AlogP:
3.05

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5182653

Name:
Steckwaic acid C

Mol. Formula:
C18H18O4

M.W.:
298.34

Type:
---

AlogP:
2.79

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5178509

Name:
Steckwaic acid B

Mol. Formula:
C18H18O3

M.W.:
282.34

Type:
---

AlogP:
3.60

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5177784

Name:
8-Hydroxytanzawaic acid M

Mol. Formula:
C18H26O4

M.W.:
306.40

Type:
---

AlogP:
2.39

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4215333

Name:
Trimethyl 1-(5-(4-fluorobenzoyl)-4-phenylthiazol-2-yl)-5,5-diphenylpyrrolidShow More⌵

Mol. Formula:
C38H31FN2O7S

M.W.:
678.74

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
112.10

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4215269

Name:
Trimethyl 1-(5-benzoyl-4-phenylthiazol-2-yl)-5,5-diphenylpyrrolidine-2,3,4-Show More⌵

Mol. Formula:
C38H32N2O7S

M.W.:
660.75

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
112.10

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4215111

Name:
Methyl 1-(5-(4-methoxybenzoyl)-4-phenylthiazol-2-yl)-5,5-diphenyl-4-(phenylShow More⌵

Mol. Formula:
C41H34N2O6S2

M.W.:
714.87

Type:
Small molecule

AlogP:
7.59

Polar Surface Area:
102.87

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4215010

Name:
Methyl 1-(5-benzoyl-4-phenylthiazol-2-yl)-5,5-diphenyl-4-(phenylsulfonyl)pyShow More⌵

Mol. Formula:
C40H32N2O5S2

M.W.:
684.84

Type:
Small molecule

AlogP:
7.58

Polar Surface Area:
93.64

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4213479

Name:
Dimethyl 1-(5-(4-fluorobenzoyl)-4-phenylthiazol-2-yl)-5,5-diphenylpyrrolidiShow More⌵

Mol. Formula:
C36H29FN2O5S

M.W.:
620.70

Type:
Small molecule

AlogP:
6.66

Polar Surface Area:
85.80

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4213279

Name:
Trimethyl 1-(5-(4-methoxybenzoyl)-4-phenylthiazol-2-yl)-5,5-diphenylpyrroliShow More⌵

Mol. Formula:
C39H34N2O8S

M.W.:
690.77