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ALA104861 Name:
2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid
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Mol. Formula:
C25H40N8O6
M.W.:
548.65
Type:
Protein
AlogP:
-2.62
Polar Surface Area:
244.12
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA104404 Name:
2-Acetylamino-5-guanidino-pentanoic acid (1-carbam
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Mol. Formula:
C11H22N6O4
M.W.:
302.34
Type:
Small molecule
AlogP:
-3.49
Polar Surface Area:
185.92
HBA:
5
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA106968 Name:
2-(2-Acetylamino-3-hydroxy-propionylamino)-3-methy
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Cas Number:
132765-87-8
Mol. Formula:
C10H19N3O4
M.W.:
245.28
Type:
Small molecule
AlogP:
-1.89
Polar Surface Area:
121.52
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA316580 Name:
1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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Mol. Formula:
C25H38N8O6
M.W.:
546.63
Type:
Protein
AlogP:
-2.77
Polar Surface Area:
235.33
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA428820 Name:
2-(2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)
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Mol. Formula:
C30H48N10O8
M.W.:
676.78
Type:
Protein
AlogP:
-3.87
Polar Surface Area:
316.31
HBA:
9
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
Type:
Protein
AlogP:
-3.88
Polar Surface Area:
336.62
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA321719 Name:
1-Acetyl-pyrrolidine-2-carboxylic acid (1-{1-[1-(1
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Mol. Formula:
C30H47N9O7
M.W.:
645.76
Type:
Protein
AlogP:
-2.63
Polar Surface Area:
264.43
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA322058 Name:
1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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Mol. Formula:
C33H52N10O9
M.W.:
732.84
Type:
Protein
AlogP:
-4.16
Polar Surface Area:
313.76
HBA:
10
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA104918 Name:
2-Acetylamino-5-guanidino-pentanoic acid [1-(1-car
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Mol. Formula:
C16H31N7O5
M.W.:
401.47
Type:
Protein
AlogP:
-3.35
Polar Surface Area:
215.02
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA431813 Name:
1-Acetyl-pyrrolidine-2-carboxylic acid [1-(1-carba
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Mol. Formula:
C22H33N7O4
M.W.:
459.55
Type:
Protein
AlogP:
-1.25
Polar Surface Area:
186.00
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA107453 Name:
1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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Mol. Formula:
C10H17N3O4
M.W.:
243.26
Type:
Small molecule
AlogP:
-2.04
Polar Surface Area:
112.73
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA322972 Name:
2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid
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Mol. Formula:
C20H31N7O5
M.W.:
449.51
Type:
Protein
AlogP:
-2.77
Polar Surface Area:
215.02
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA107589 Name:
1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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Mol. Formula:
C19H26N4O5
M.W.:
390.44
Type:
Protein
AlogP:
-1.31
Polar Surface Area:
141.83
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA106812 Name:
2-(2-Acetylamino-3-methyl-butyrylamino)-pentanedio
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Mol. Formula:
C12H22N4O4
M.W.:
286.33
Type:
Small molecule
AlogP:
-1.62
Polar Surface Area:
144.38
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA323292 Name:
1-Acetyl-pyrrolidine-2-carboxylic acid (1-carbamoy
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Cas Number:
60240-12-2
Mol. Formula:
C16H21N3O3
M.W.:
303.36
Type:
Small molecule
AlogP:
0.21
Polar Surface Area:
92.50
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA104642 Name:
2-[2-(2-Acetylamino-3-hydroxy-propionylamino)-3-me
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Mol. Formula:
C15H27N5O6
M.W.:
373.41
Type:
Protein
AlogP:
-3.14
Polar Surface Area:
193.71
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA321718 Name:
1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-
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Mol. Formula:
C28H43N9O8
M.W.:
633.71
Type:
Protein
AlogP:
-4.30
Polar Surface Area:
284.66
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA264393 Name:
2-{2-[2-(2-Acetylamino-5-guanidino-pentanoylamino)
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Mol. Formula:
C21H39N9O7
M.W.:
529.60
Type:
Protein
AlogP:
-4.60
Polar Surface Area:
287.21
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA321324 Name:
1-Acetyl-pyrrolidine-2-carboxylic acid {1-[1-(1-ca
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Mol. Formula:
C25H38N8O6
M.W.:
546.63
Type:
Protein
AlogP:
-2.77
Polar Surface Area:
235.33
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA320363 Name:
2-(2-{2-[2-(2-{[1-(2-Acetylamino-3-hydroxy-propion
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Mol. Formula:
C38H60N12O11
M.W.:
860.97
Type:
Protein
AlogP:
-5.41
Polar Surface Area:
385.95
HBA:
12
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
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