Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA2269373Name:
(1R,3S,4R,7Z,11S,12S)-3-hydroxydolabella-7,18-dien-4,17-olideMol. Formula:
C20H30O3M.W.:
318.46Type:
Small moleculeAlogP:
4.16Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA2269166Name:
(1R,3E,6R,7Z,11S,12S)-dolabella-3,7,18-trien-6,17-olideMol. Formula:
C20H28O2M.W.:
300.44Type:
Small moleculeAlogP:
4.97Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA2269165Name:
(1R,3E,7Z,11S,12S)-dolabella-3,7,18-trien-17-oic acidMol. Formula:
C20H30O2M.W.:
302.46Type:
Small moleculeAlogP:
5.52Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA2269164Name:
(1R,3S,4R,7Z,11S,12S)-3-acetoxydolabella-7,18-dien-4,17-olideMol. Formula:
C22H32O4M.W.:
360.49Type:
Small moleculeAlogP:
4.73Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS- ALA2269163
Name:
(1R,3E,7Z,11S,12S)-dolabella-3,7,18-trien-17-oic acid methyl esterMol. Formula:
C21H32O2M.W.:
316.49Type:
Small moleculeAlogP:
5.60Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA2268830
Name:
Ethyl N,N'-Sulfenyl-Bis[2-(4-Phenoxyphenoxy)Ethyl CarbamatelMol. Formula:
C34H36N2O8SM.W.:
632.73Type:
Small moleculeAlogP:
8.21Polar Surface Area:
96.00HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
10.04Polar Surface Area:
77.54HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
12.39Polar Surface Area:
77.54HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
6.32Polar Surface Area:
59.32HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS
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