Compounds

ALA5172906

Name:
Penijanthine C

Mol. Formula:
C28H41NO3

M.W.:
439.64

3 activity values

3 unique targets

Type:
---

AlogP:
5.09

Polar Surface Area:
76.48

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4741298

Name:
1'-trans-azodyrecin A

Mol. Formula:
C18H34N2O3

M.W.:
326.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
64.73

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4465333

Name:
Pleosporalone G

Mol. Formula:
C23H28O8

M.W.:
432.47

4 activity values

2 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
122.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2333583

Name:
Fumiquinazoline L

Mol. Formula:
C26H25N5O4

M.W.:
471.52

25 activity values

18 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA500065

Name:
cyclo(D)-Leu-(D)-His

Mol. Formula:
C12H18N4O2

M.W.:
250.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.02

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA463718

Name:
cyclo(L)-Pro-(D)-Leu

Mol. Formula:
C11H18N2O2

M.W.:
210.28

28 activity values

18 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA449821

Name:
cyclo(L)-Pro-(D)-Ile

Mol. Formula:
C11H18N2O2

M.W.:
210.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA460676

Name:
cyclo(L)-Pro-(D)-Val

Mol. Formula:
C10H16N2O2

M.W.:
196.25

13 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

Cyclo(D-Phe-L-Pro)

Name:
cyclo(L)-Pro-(D)-Phe

Mol. Formula:
C14H16N2O2

M.W.:
244.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA460767

Name:
cyclo(D)-Pro-(L)-Leu

Mol. Formula:
C11H18N2O2

M.W.:
210.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA454474

Name:
cyclo(D)-Pro-(L)-Ile

Mol. Formula:
C11H18N2O2

M.W.:
210.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA454463

Name:
cyclo(D)-Pro-(L)-Val

Mol. Formula:
C10H16N2O2

M.W.:
196.25

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA453184

Name:
cyclo(D)-Pro-(L)-Phe

Mol. Formula:
C14H16N2O2

M.W.:
244.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA447980

Name:
cyclo(D)-Val-(D)-Leu

Mol. Formula:
C11H20N2O2

M.W.:
212.29

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA460332

Name:
cyclo(D)-trans-4-OH-Pro-(D)-Phe

Mol. Formula:
C14H16N2O3

M.W.:
260.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.31

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA460331

Name:
cyclo(D)-Pro-(D)-Leu

Mol. Formula:
C11H18N2O2

M.W.:
210.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA513788

Name:
cyclo(D)-Pro-(D)-Ile

Mol. Formula:
C11H18N2O2

M.W.:
210.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA460243

Name:
cyclo(D)-Pro-(D)-Val

Mol. Formula:
C10H16N2O2

M.W.:
196.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA462452

Name:
cyclo(D)-Pro-(D)-Phe

Mol. Formula:
C14H16N2O2

M.W.:
244.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS