ALA5273542Name:
(7E)-7-(4-pyridylmethylene)-2,6-dihydro-1H-cyclopenta[e]benzofuran-8-oneMol. Formula:
C17H13NO2M.W.:
263.30Type:
---AlogP:
2.84Polar Surface Area:
39.19HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
1.67Polar Surface Area:
127.84HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS
Unk-N(MeSO3H)Dab(MeSO3H)-Unk-Dab(MeSO3H)-Dab(1)-Dab(MeSO3H)-D-Leu-Leu-Dab(MeSO3H)-D-Dab(MeSO3H)-Thr-(1)Name:
colistimethateMol. Formula:
C59H114N16O30S6M.W.:
1720.05Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA2282499Name:
2,8-Bis(3-chlorophenyl)-4H,6H-pyrano[3,2-g]chromene-4,6-dioneMol. Formula:
C24H12Cl2O4M.W.:
435.26Type:
Small moleculeAlogP:
6.54Polar Surface Area:
60.42HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.30DETAILS
ALA2282498Name:
2,8-Bis(4-Chlorophenyl)-4H,6H-pyrano[3,2-g]chromene-4,6-dioneMol. Formula:
C24H12Cl2O4M.W.:
435.26Type:
Small moleculeAlogP:
6.54Polar Surface Area:
60.42HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.30DETAILS-
Type:
Small moleculeAlogP:
6.58Polar Surface Area:
81.08HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
5.02Polar Surface Area:
81.08HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.51Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
129.98HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
6.20Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
6.20Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA2282420
Name:
4,6-Diacetyl-1,3-di(3-chlorophenylcarbonyloxy)benzeneMol. Formula:
C24H16Cl2O6M.W.:
471.29Type:
Small moleculeAlogP:
5.84Polar Surface Area:
86.74HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA2282419
Name:
4,6-Diacetyl-1,3-di(2-methoxyphenylcarbonyloxy)benzeneMol. Formula:
C26H22O8M.W.:
462.45Type:
Small moleculeAlogP:
4.55Polar Surface Area:
105.20HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA2282418
Name:
4,6-Diacetyl-1,3-di(3-nitrophenylcarbonyloxy)benzeneMol. Formula:
C24H16N2O10M.W.:
492.40Type:
Small moleculeAlogP:
4.35Polar Surface Area:
173.02HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA2282417
Name:
4,6-Diacetyl-1,3-di(2-nitrophenylcarbonyloxy)benzeneMol. Formula:
C24H16N2O10M.W.:
492.40Type:
Small moleculeAlogP:
4.35Polar Surface Area:
173.02HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
7.19Polar Surface Area:
59.08HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
5.55Polar Surface Area:
107.98HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
78.88HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
5.53Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
5.51Polar Surface Area:
71.06HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS
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