Compounds

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
111.96

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4794579

Name:
(10H-Phenoxazin-10-yl)(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)methanone

Mol. Formula:
C26H26N2O3

M.W.:
414.51

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4794057

Name:
(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)(4-(3-morpholinopropoxy)phenyl)meShow More⌵

Mol. Formula:
C28H30N2O3

M.W.:
442.56

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4791782

Name:
(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)(4-(3-(dimethylamino)propoxy)phenShow More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4781385

Name:
(5H-Dibenzo[b,f]azepin-5-yl)(4-(3-(dimethylamino)propoxy)phenyl)methanone

Mol. Formula:
C26H26N2O2

M.W.:
398.51

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4764424

Name:
4-(3-(Dimethylamino)propoxy)-N-(2-(2,6-dimethylphenoxy)phenyl)benzamide

Mol. Formula:
C26H30N2O3

M.W.:
418.54

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4759180

Name:
N-(2-Phenoxyphenyl)-4-(3-guanidinopropoxy)benzamide trifluoroacetate

Mol. Formula:
C25H25F3N4O5

M.W.:
518.49

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
111.96

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4754749

Name:
(10H-Phenoxazin-10-yl)(4-(3-guanidinopropoxy))benzamide trifluoroacetate

Mol. Formula:
C25H23F3N4O5

M.W.:
516.48

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
103.17

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4749956

Name:
(5H-Dibenzo[b,f]azepin-5-yl)(4-(3-morpholinopropoxy)phenyl)methanone

Mol. Formula:
C28H28N2O3

M.W.:
440.54

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4749090

Name:
(5H-Dibenzo[b,f]azepin-5-yl)(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)methanone

Mol. Formula:
C28H28N2O2

M.W.:
424.54

Type:
Unknown

AlogP:
6.01

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4742798

Name:
(10H-Phenoxazin-10-yl)(4-(3-(N,N-dimethylamino)propoxy))benzamide

Mol. Formula:
C24H24N2O3

M.W.:
388.47

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4741821

Name:
(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)(4-(3-(pyrrolidin-1-yl)propoxy)phShow More⌵

Mol. Formula:
C28H30N2O2

M.W.:
426.56

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4741805

Name:
(4-(3-Morpholinopropoxy)phenyl)(10H-phenoxazin-10-yl)methanone

Mol. Formula:
C26H26N2O4

M.W.:
430.50

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4741422

Name:
4-(3-(N,N-Dimethylamino)propoxy)-N-(2-phenoxyphenyl)benzamide

Mol. Formula:
C24H26N2O3

M.W.:
390.48

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4740547

Name:
4-(3-(N,N-Dimethylamino)propoxy)-N-(2-(4-fluorophenoxy)phenyl)benzamide

Mol. Formula:
C24H25FN2O3

M.W.:
408.47

Type:
Unknown

AlogP:
5.20

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

Ω-conotoxin MVIIA

Name:
omega-Conotoxin

Mol. Formula:
C102H172N36O32S7

M.W.:
2639.19

10 activity values

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4294178

Name:
5-(1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pShow More⌵

Mol. Formula:
C25H31N3O2

M.W.:
405.54

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
49.17

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4292697

Name:
4-(1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pShow More⌵

Mol. Formula:
C26H29N3O2

M.W.:
415.54

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
60.07

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4292404

Name:
Ziconotide

Mol. Formula:
C102H172N36O32S7

M.W.:
2639.19

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4291986

Name:
4-(5-(4-chlorophenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pyShow More⌵

Mol. Formula:
C23H26ClN3O

M.W.:
395.93