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ALA4776808 Name:
(2S,5S,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)
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Mol. Formula:
C28H37N5O6
M.W.:
539.63
Type:
Unknown
AlogP:
0.78
Polar Surface Area:
182.88
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4754992 Name:
(2S,5S,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)
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Mol. Formula:
C28H36N4O8
M.W.:
556.62
Type:
Unknown
AlogP:
0.26
Polar Surface Area:
197.15
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4476666 Name:
(E)-Methyl 2-((1'S,6'S,7'S,8a'S)-1-benzyl-6'-ethyl
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Mol. Formula:
C30H36N2O5
M.W.:
504.63
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
68.31
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4459868 Name:
(E)-Methyl 2-((1'S,6'S,7'S,8a'S)-6'-ethyl-4-methox
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Mol. Formula:
C24H32N2O5
M.W.:
428.53
Type:
Unknown
AlogP:
2.89
Polar Surface Area:
68.31
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4174890 Name:
(R)-N-((S)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-te
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Mol. Formula:
C28H38N8O5
M.W.:
566.66
Type:
Small molecule
AlogP:
-0.81
Polar Surface Area:
229.75
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4173234 Name:
(S)-2-amino-N-((R)-1-((S)-4-(2-amino-2-oxoethyl)-3
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Mol. Formula:
C30H35N5O5
M.W.:
545.64
Type:
Small molecule
AlogP:
1.09
Polar Surface Area:
167.85
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4169811 Name:
(S)-2-amino-N-((R)-1-((S)-2-(2-amino-2-oxoethyl)-3
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Mol. Formula:
C30H35N5O5
M.W.:
545.64
Type:
Small molecule
AlogP:
1.09
Polar Surface Area:
167.85
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4166388 Name:
(S)-2-amino-N-((R)-1-((S)-4-(2-amino-2-oxoethyl)-3
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Mol. Formula:
C31H37N5O5
M.W.:
559.67
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
159.06
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4165323 Name:
(R)-N-((S)-4-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te
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Mol. Formula:
C33H42N8O5
M.W.:
630.75
Type:
Small molecule
AlogP:
0.34
Polar Surface Area:
229.75
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4164236 Name:
(R)-N-((S)-2-(2-amino-2-oxoethyl)-8-bromo-3-oxo-2,
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Mol. Formula:
C29H39BrN8O5
M.W.:
659.59
Type:
Small molecule
AlogP:
-0.06
Polar Surface Area:
229.75
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4161890 Name:
(R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te
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Mol. Formula:
C33H42N8O5
M.W.:
630.75
Type:
Small molecule
AlogP:
0.34
Polar Surface Area:
229.75
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA3622715 Name:
8alpha-H-2beta-Allyl-2alpha-methoxymethyl-salvinor
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Mol. Formula:
C26H34O7
M.W.:
458.55
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
92.04
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3622714 Name:
8beta-H-2beta-Allyl-2alpha-methoxymethyl-salvinori
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Mol. Formula:
C26H34O7
M.W.:
458.55
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
92.04
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3622711 Name:
8beta-H-2beta-Ethyl-2alpha-methoxymethyl-salvinori
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Mol. Formula:
C25H34O7
M.W.:
446.54
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
92.04
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3622710 Name:
8alpha-H-2beta-Ethyl-2alpha-methoxymethyl-salvinor
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Mol. Formula:
C25H34O7
M.W.:
446.54
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
92.04
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3613172 Name:
N-[(2S,4aS,7aR,12aR,14R)-5-(cyclopropylmethyl)-9-h
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Mol. Formula:
C32H41ClN2O2
M.W.:
521.15
Type:
Small molecule
AlogP:
5.32
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3613171 Name:
(E)-N-[(2S,4aS,7aR,12aR,14R)-5-(cyclopropylmethyl)
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Mol. Formula:
C30H37ClN2O3
M.W.:
509.09
Type:
Small molecule
AlogP:
4.99
Polar Surface Area:
56.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3613170 Name:
N-[(2S,4aS,7aR,12aR,14S)-5-(cyclopropylmethyl)-9-h
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Mol. Formula:
C30H35ClN2O2
M.W.:
491.08
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3613169 Name:
N-[(2S,4aS,7aR,12aR,14S)-5-(cyclopropylmethyl)-9-h
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Mol. Formula:
C41H52N2O6S
M.W.:
700.94
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3613168 Name:
N-[(2S,4aS,7aR,12aR,14S)-5-(cyclopropylmethyl)-9-h
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Mol. Formula:
C42H54N2O6S
M.W.:
714.97
Type:
Small molecule
AlogP:
5.10
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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