Type:
---AlogP:
4.90Polar Surface Area:
42.35HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4457977Name:
[[5-bromo-1-(3-methylbut-2-enyl)indol-3-yl]methyleneamino]ureaMol. Formula:
C15H17BrN4OM.W.:
349.23Type:
UnknownAlogP:
3.37Polar Surface Area:
72.41HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA4284444Name:
4-(4-(4-chlorophenyl)thiazol-2-ylamino)-2,6-dimethylphenolMol. Formula:
C17H15ClN2OSM.W.:
330.84Type:
Small moleculeAlogP:
5.53Polar Surface Area:
45.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
143.75HBA:
12HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
Small moleculeAlogP:
8.39Polar Surface Area:
37.52HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS-
Type:
Small moleculeAlogP:
8.01Polar Surface Area:
63.82HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
8.56Polar Surface Area:
26.52HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA3349371
Name:
3-Pentadeca-1,3,6-trienylsulfanyl-propionic acid methyl esterMol. Formula:
C19H32O2SM.W.:
324.53Type:
Small moleculeAlogP:
6.05Polar Surface Area:
26.30HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA3349320
Name:
(S)-15-Hydroxy-icosa-11,13-dienoic acid (15(S)-OH-20 : 2)Mol. Formula:
C20H36O3M.W.:
324.51Type:
Small moleculeAlogP:
5.64Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA3349319
Name:
(S)-15-Hydroxy-icosa-11,13-dienoic acid diethylamideMol. Formula:
C24H45NO2M.W.:
379.63Type:
Small moleculeAlogP:
6.42Polar Surface Area:
40.54HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA3349318
Name:
(S)-15-Hydroxy-icosa-8,11,13-trienoic acid (15(S)-OH-20 : 3)Mol. Formula:
C20H34O3M.W.:
322.49Type:
Small moleculeAlogP:
5.41Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA3349317
Name:
(S)-13-Methoxy-octadeca-6,9,11-trienoic acid (13(S)-OH-18 : 3, Me)Mol. Formula:
C19H32O3M.W.:
308.46Type:
Small moleculeAlogP:
5.29Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA3349316
Name:
(S)-17-Hydroxy-docosa-7,10,13,15-tetraenoic acid (17(S)-OH-22 : 4)Mol. Formula:
C22H36O3M.W.:
348.53Type:
Small moleculeAlogP:
5.97Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
5.85Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA3349314
Name:
(S)-15-Acetoxy-icosa-5,8,11,13-tetraenoic acid (15(S)-OAc-20 : 4)Mol. Formula:
C22H34O4M.W.:
362.51Type:
Small moleculeAlogP:
5.76Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA3349313
Name:
15-Hydroxy-icosa-5,8,11,13-tetraenoic acid methyl ester (15(S)-OH-20:4 Me)Mol. Formula:
C21H34O3M.W.:
334.50Type:
Small moleculeAlogP:
5.28Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
6.06Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
58.04HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
81.26HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA3216856
Name:
2-Amino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothiazol-6-ol dihydrochlorideMol. Formula:
C15H17Cl2N3OSM.W.:
358.29Type:
Small moleculeAlogP:
3.19Polar Surface Area:
72.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS
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