Type:
Small moleculeAlogP:
6.28Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
68.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.11DETAILS
ALA3621956Name:
(R,Z)-3-hydroxy-2-oleamidopropyl dihydrogen phosphateMol. Formula:
C21H42NO6PM.W.:
435.54Type:
Small moleculeAlogP:
4.61Polar Surface Area:
116.09HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.13DETAILS
GRI 977143Name:
2-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propylthio)benzoic acidMol. Formula:
C22H17NO4SM.W.:
391.45Type:
Small moleculeAlogP:
4.32Polar Surface Area:
74.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA604486Name:
2-(5-nitro-1,3-dioxoisoindolin-2-yl)-N-(4-(2-oxopropoxy)phenyl)acetamideMol. Formula:
C19H15N3O7M.W.:
397.34Type:
Small moleculeAlogP:
1.80Polar Surface Area:
135.92HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS- ALA607551
Name:
2-(5-(3-nitrobenzoyl)-1,3-dioxoisoindolin-2-yl)acetic acidMol. Formula:
C17H10N2O7M.W.:
354.27Type:
Small moleculeAlogP:
1.51Polar Surface Area:
134.89HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA594665
Name:
2-(4-(5-(3-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)phenoxy)acetic acidMol. Formula:
C22H14N2O8M.W.:
434.36Type:
Small moleculeAlogP:
3.65Polar Surface Area:
136.28HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA482506
Name:
Heptanoic acid (R)-1-heptanoyloxymethyl-2-thiophosphonooxy-ethyl esterMol. Formula:
C17H33O7PSM.W.:
412.49Type:
Small moleculeAlogP:
3.61Polar Surface Area:
102.29HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA482505
Name:
Heptanoic acid (R)-1-heptanoyloxymethyl-2-phosphonooxy-ethyl esterMol. Formula:
C17H33O8PM.W.:
396.42Type:
Small moleculeAlogP:
3.49Polar Surface Area:
119.36HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.77Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA215722
Name:
1,1-difluoro-3(S)-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphonateMol. Formula:
C22H41F2O5PM.W.:
454.54Type:
Small moleculeAlogP:
7.36Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA211465
Name:
3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosphonothioateMol. Formula:
C20H39O4PSM.W.:
406.57Type:
Small moleculeAlogP:
6.10Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA370500
Name:
(E)-Octadec-9-enoic acid (R)-4-fluoro-2-hydroxy-4-phosphono-butyl esterMol. Formula:
C22H42FO6PM.W.:
452.54Type:
Small moleculeAlogP:
5.79Polar Surface Area:
104.06HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA192210
Name:
Hexadecanoic acid (R)-2-fluoro-3-phosphonooxy-propyl esterMol. Formula:
C19H38FO6PM.W.:
412.48Type:
Small moleculeAlogP:
5.46Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA192107
Name:
Hexadecanoic acid (S)-3-fluoro-1-hydroxymethyl-3-phosphono-propyl esterMol. Formula:
C21H42FO6PM.W.:
440.53Type:
Small moleculeAlogP:
5.89Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA192073
Name:
Hexadecanoic acid (S)-4-fluoro-2-hydroxy-4-phosphono-butyl esterMol. Formula:
C20H40FO6PM.W.:
426.51Type:
Small moleculeAlogP:
5.24Polar Surface Area:
104.06HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA190771
Name:
Hexadecanoic acid (S)-2-fluoro-1-phosphonooxymethyl-ethyl esterMol. Formula:
C19H38FO6PM.W.:
412.48Type:
Small moleculeAlogP:
5.46Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA195383
Name:
Hexadecanoic acid (R)-2,2-difluoro-1-phosphonooxymethyl-ethyl esterMol. Formula:
C19H37F2O6PM.W.:
430.47Type:
Small moleculeAlogP:
5.75Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA192452
Name:
Hexadecanoic acid (S)-2-fluoro-3-phosphonooxy-propyl esterMol. Formula:
C19H38FO6PM.W.:
412.48Type:
Small moleculeAlogP:
5.46Polar Surface Area:
93.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA191946
Name:
(E)-Octadec-9-enoic acid (S)-4-fluoro-2-hydroxy-4-phosphono-butyl esterMol. Formula:
C22H42FO6PM.W.:
452.54Type:
Small moleculeAlogP:
5.79Polar Surface Area:
104.06HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.09DETAILS
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