Compounds

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
53.96

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4474616

Name:
{2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-y
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Mol. Formula:
C30H39N5O2

M.W.:
501.68

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
53.96

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4538956

Name:
(S)-2-((S)-2-((S)-2-((S)-1-((2S,5S)-5-amino-2-(3-g
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Mol. Formula:
C51H76F9N13O15

M.W.:
1282.23

2 activity values

Type:
Unknown

AlogP:
0.04

Polar Surface Area:
359.17

HBA:
11

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4534863

Name:
2-({2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-
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Mol. Formula:
C26H32N4O2

M.W.:
432.57

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4533793

Name:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-5-g
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Mol. Formula:
C51H76F9N13O15

M.W.:
1282.23

2 activity values

Type:
Unknown

AlogP:
0.04

Polar Surface Area:
359.17

HBA:
11

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4561093

Name:
{2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-y
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Mol. Formula:
C27H34N4O

M.W.:
430.60

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
41.49

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4557702

Name:
2-cyclopropyl-4-(4-(2-methoxyphenyl)piperazin-1-yl
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Mol. Formula:
C24H29N5O

M.W.:
403.53

1 activity values

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
44.73

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4554583

Name:
1-{2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1
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Mol. Formula:
C28H34N4O2

M.W.:
458.61

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4552414

Name:
2-({7-chloro-2-cyclopropyl-4-[4-(2-methoxyphenyl)p
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Mol. Formula:
C26H31ClN4O2

M.W.:
467.01

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4570744

Name:
(S)-1-(2-cyclopropyl-4-(4-(2-methoxyphenyl)piperid
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Mol. Formula:
C27H32N4O2

M.W.:
444.58

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4567709

Name:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-5-guanidino-2-((S)
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Mol. Formula:
C45H69F9N12O14

M.W.:
1173.10

9 activity values

Type:
Unknown

AlogP:
-0.84

Polar Surface Area:
330.07

HBA:
10

HBD:
13

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4567672

Name:
(S)-2-((S)-2-((S)-2-((S)-1-((S)-5-guanidino-2-((S)
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Mol. Formula:
C45H70F6N12O13

M.W.:
1101.11

8 activity values

Type:
Unknown

AlogP:
-0.54

Polar Surface Area:
347.14

HBA:
10

HBD:
13

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4566971

Name:
4-[2-[5-[1-[6-[2-[2-[2-[[N-[(4S)-4-[[(2S)-2-amino-
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Mol. Formula:
C84H122F6N16O22S2

M.W.:
1886.11

9 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4528687

Name:
(S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino
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Mol. Formula:
C45H69F9N12O14

M.W.:
1173.10

8 activity values

Type:
Unknown

AlogP:
-0.76

Polar Surface Area:
335.27

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4528434

Name:
{2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-y
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Mol. Formula:
C25H30N4O

M.W.:
402.54

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
41.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4528239

Name:
(S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino
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Mol. Formula:
C45H69F9N12O14

M.W.:
1173.10

8 activity values

Type:
Unknown

AlogP:
-0.76

Polar Surface Area:
335.27

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4526200

Name:
Neurotensin

Mol. Formula:
C78H121N21O20

M.W.:
1672.95

1 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4517098

Name:
2-({2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-
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Mol. Formula:
C27H34N4O2

M.W.:
446.60

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
61.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4742999

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(3S)-3
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Mol. Formula:
C41H70N12O8

M.W.:
859.09

3 unique targets

Type:
Unknown

AlogP:
-0.10

Polar Surface Area:
344.06

HBA:
10

HBD:
13

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4742361

Name:
NA

Mol. Formula:
C78H122N22O19

M.W.:
1671.97