Compounds

ALA5272273

Name:
3-chloro-N-(4-((2-(4-chlorophenyl)-5-methyloxazolo[5,4-d]pyrimidin-7-yl)amiShow More⌵

Mol. Formula:
C25H17Cl2N5O2

M.W.:
490.35

Type:
---

AlogP:
6.90

Polar Surface Area:
92.94

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271314

Name:
Cortistatin D

Mol. Formula:
C30H34N2O5

M.W.:
502.61

Type:
---

AlogP:
2.63

Polar Surface Area:
103.12

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5269724

Name:
Cortistatin F

Mol. Formula:
C32H52N2O

M.W.:
480.78

Type:
---

AlogP:
6.55

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5269507

Name:
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2Show More⌵

Mol. Formula:
C80H130N18O19S

M.W.:
1680.09

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268099

Name:
Cortistatin J

Mol. Formula:
C30H36N2O

M.W.:
440.63

Type:
---

AlogP:
6.26

Polar Surface Area:
25.36

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5267839

Name:
3-chloro-N-(4-((2-(4-methoxyphenyl)-5-methyloxazolo[5,4-d]pyrimidin-7-yl)amShow More⌵

Mol. Formula:
C26H20ClN5O3

M.W.:
485.93

Type:
---

AlogP:
6.25

Polar Surface Area:
102.17

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5282176

Name:
Cortistatin C

Mol. Formula:
C30H34N2O4

M.W.:
486.61

Type:
---

AlogP:
3.53

Polar Surface Area:
82.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5280572

Name:
Cortistatin E

Mol. Formula:
C32H52N2O

M.W.:
480.78

Type:
---

AlogP:
6.70

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5279973

Name:
(S)-2-((2-(1-hydroxybutan-2-ylamino)-9-isopropyl-9H-purin-6-ylamino)methyl)Show More⌵

Mol. Formula:
C19H26N6O2

M.W.:
370.46

Type:
---

AlogP:
2.91

Polar Surface Area:
108.12

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5279704

Name:
3-methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde

Mol. Formula:
C10H16O2

M.W.:
168.24

Type:
---

AlogP:
2.09

Polar Surface Area:
29.60

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5277022

Name:
Cortistatin B

Mol. Formula:
C30H36N2O4

M.W.:
488.63

Type:
---

AlogP:
3.32

Polar Surface Area:
86.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5274477

Name:
Cortistatin H

Mol. Formula:
C31H44N2O

M.W.:
460.71

Type:
---

AlogP:
6.66

Polar Surface Area:
25.36

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5273673

Name:
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2Show More⌵

Mol. Formula:
C84H138N18O18

M.W.:
1688.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5290066

Name:
Methyl 2-((1,5-bis(3,5-bis(methoxymethoxy)phenyl)-3-oxopent-4-en-1-yl)thio)Show More⌵

Mol. Formula:
C28H36O11S

M.W.:
580.65

Type:
---

AlogP:
4.24

Polar Surface Area:
117.21

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5266422

Name:
Cortistatin G

Mol. Formula:
C31H42N2O

M.W.:
458.69

Type:
---

AlogP:
6.74

Polar Surface Area:
25.36

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5209059

Name:
(1E,3E,5S,6S)-1-((2S,5R,6S)-5-Hydroxy-6-methylpiperidin-2-yl)-deca-1,3-dienShow More⌵

Mol. Formula:
C16H29NO3

M.W.:
283.41

1 activity values

1 unique targets

Type:
---

AlogP:
1.51

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5208832

Name:
4-(2-((3-(cyclohexylmethyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)ethoxy)-3-(pShow More⌵

Mol. Formula:
C27H28N2O8S

M.W.:
540.59

11 activity values

7 unique targets

Type:
---

AlogP:
4.14

Polar Surface Area:
135.78

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5208682

Name:
7-Chloro-3-((4-(trifluoromethoxy)benzyl)amino)-4H-benzo[e][1,2,4]thiadiazinShow More⌵

Mol. Formula:
C15H11ClF3N3O3S

M.W.:
405.79

4 activity values

4 unique targets

Type:
---

AlogP:
3.50

Polar Surface Area:
79.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5207737

Name:
rac-Cryptoechinuline D

Mol. Formula:
C38H41N3O5

M.W.:
619.76

1 activity values

1 unique targets

Type:
---

AlogP:
6.62

Polar Surface Area:
131.52

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5207707

Name:
3-((3-Phenylpropyl)amino)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Mol. Formula:
C16H17N3O2S

M.W.:
315.40

1 activity values

1 unique targets

Type:
---

AlogP:
2.38

Polar Surface Area:
70.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS