- ALA4285191
Name:
3-((5-Cyclohexyl-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene-1,1-dioxideMol. Formula:
C16H16N2O3S2M.W.:
348.45Type:
Small moleculeAlogP:
4.00Polar Surface Area:
73.06HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS Type:
Small moleculeAlogP:
-2.19Polar Surface Area:
318.04HBA:
18HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILSType:
Small moleculeAlogP:
-1.60Polar Surface Area:
318.04HBA:
18HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILSType:
Small moleculeAlogP:
-1.70Polar Surface Area:
314.38HBA:
18HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.11DETAILSType:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA3143998
Name:
5-beta-D-Ribofuranosylfuran-3-carboxamide 5',5''-Adenosine PyrophosphateMol. Formula:
C20H26N6O15P2M.W.:
652.40Type:
Small moleculeAlogP:
-2.17Polar Surface Area:
327.52HBA:
18HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS Type:
Small moleculeAlogP:
1.27Polar Surface Area:
268.13HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.09DETAILS- ALA1683753
Name:
Mycophenolic ethylenephosphonate-8-thioadenosineMol. Formula:
C24H30N5O11PSM.W.:
627.57Type:
Small moleculeAlogP:
0.25Polar Surface Area:
241.83HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.09DETAILS - ALA1683752
Name:
Mycophenolic ethylenephosphonate-5'-thioadenosineMol. Formula:
C24H30N5O10PSM.W.:
611.57Type:
Small moleculeAlogP:
0.90Polar Surface Area:
221.60HBA:
15HBD:
5#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.12DETAILS - ALA1683751
Name:
Tiazofurin-5'-yl-(adenosine-5'-N-acetamido)phosphonateMol. Formula:
C21H27N8O11PSM.W.:
630.53Type:
Small moleculeAlogP:
-3.24Polar Surface Area:
300.61HBA:
17HBD:
8#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.10DETAILS Type:
Small moleculeAlogP:
-4.76Polar Surface Area:
317.32HBA:
18HBD:
8#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS- ALA1683749
Name:
Mycophenolic(adenosine-5'-N-acetamido)phosphonateMol. Formula:
C24H29N6O11PM.W.:
608.50Type:
Small moleculeAlogP:
-0.72Polar Surface Area:
250.70HBA:
15HBD:
6#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.12DETAILS Type:
Small moleculeAlogP:
-2.24Polar Surface Area:
267.41HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.12DETAILSType:
Small moleculeAlogP:
3.26Polar Surface Area:
204.58HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.19DETAILSType:
Small moleculeAlogP:
1.30Polar Surface Area:
159.82HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS- ALA1683745
Name:
Mycophenolic 2-ethyladenosin-5'-yl-ethylenebis(phosphonate)Mol. Formula:
C26H35N5O13P2M.W.:
687.54Type:
Small moleculeAlogP:
0.93Polar Surface Area:
268.13HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.11DETAILS