Compounds

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
92.05

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2252184

Name:
9,10,12-Trimethyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C14H16N4O

M.W.:
256.31

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
51.86

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA2252050

Name:
9-Ethyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraen-11-yShow More⌵

Mol. Formula:
C13H14N4O

M.W.:
242.28

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2252042

Name:
rel-endo-(1R,9R,13S)-9,13-dimethyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trShow More⌵

Mol. Formula:
C13H14N4O

M.W.:
242.28

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2252040

Name:
11-Cyanoimino-5-fluoro-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideShow More⌵

Mol. Formula:
C14H13FN4O3

M.W.:
304.28

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
86.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2252036

Name:
13-Methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-ylidShow More⌵

Mol. Formula:
C12H12N4O

M.W.:
228.25

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
69.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2252032

Name:
12-Isobutyryl-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-Show More⌵

Mol. Formula:
C16H18N4O2

M.W.:
298.35

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
77.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2252024

Name:
9-Methyl-12-trimethylsilanylmethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]triShow More⌵

Mol. Formula:
C16H22N4OSi

M.W.:
314.47

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2252023

Name:
12-Allyl-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C15H16N4O

M.W.:
268.32

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
60.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2252019

Name:
12-Ethyl-9-methyl-8-oxa-10,12-diaza-tricyclo[7.3.1.02,7]-trideca-2,4,6-trieShow More⌵

Mol. Formula:
C14H16N4O

M.W.:
256.31

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
60.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2252009

Name:
5-Methyl-1,2,5,6-tetrahydro-4H-1,5-methano-benzo[e][1,3]diazocin-3-ylidene-Show More⌵

Mol. Formula:
C13H14N4

M.W.:
226.28

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
60.21

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2252007

Name:
2-Acetyl-1,2,5,6-tetrahydro-4H-1,5-methano-benzo[e][1,3]diazocin-3-ylidene-Show More⌵

Mol. Formula:
C14H14N4O

M.W.:
254.29

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
68.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2251836

Name:
(Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-1-(2-pyridinyl)meShow More⌵

Mol. Formula:
C19H23ClN6O2

M.W.:
402.89

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
78.64

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2251835

Name:
(Z)-(+/-)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-1-[1-(4-methyl)phenyShow More⌵

Mol. Formula:
C22H28ClN5O2

M.W.:
429.95

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
65.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2251834

Name:
(Z)-(+)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-1-(1-phenyl)ethyl-3-meShow More⌵

Mol. Formula:
C21H26ClN5O2

M.W.:
415.93

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
65.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2251833

Name:
(Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-1-(4-methoxyl)benzyl-3-metShow More⌵

Mol. Formula:
C21H26ClN5O3

M.W.:
431.92

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
74.98

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2251832

Name:
(Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-1-(4-methyl)benzyl-3-methyShow More⌵

Mol. Formula:
C21H26ClN5O2

M.W.:
415.93

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
65.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2251831

Name:
(Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-1-benzyl-3-methyl-5-nitro-Show More⌵

Mol. Formula:
C20H24ClN5O2

M.W.:
401.90

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
65.75

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2251830

Name:
(Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1-(2-methShow More⌵

Mol. Formula:
C20H24ClN5O3

M.W.:
417.90

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
74.98

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2251829

Name:
(Z)-4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1-(4-fluoShow More⌵

Mol. Formula:
C19H21ClFN5O2

M.W.:
405.86