ALA3350289Name:
(5R,11S)-5,11-Dimethyl-5,6,11,12-tetrahydro-chrysene-2,8-diolMol. Formula:
C20H20O2M.W.:
292.38Type:
Small moleculeAlogP:
4.39Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA2114182Name:
(5S,11R)-5,11-Dimethyl-5,6,11,12-tetrahydro-chrysene-2,8-diolMol. Formula:
C20H20O2M.W.:
292.38Type:
Small moleculeAlogP:
4.39Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA2096692Name:
alpha [Cp*Ru[eta5-17beta-estradienonyl] [BF4]Mol. Formula:
C27H38BF4O2RuM.W.:
582.47Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
4.78Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS-
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
6.06Polar Surface Area:
78.79HBA:
4HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA1628184
Name:
(alpha,beta)-[Cp*Ru(17beta-estradiol)][CF3SO3]Mol. Formula:
C30H40F6O8RhS2M.W.:
809.67Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.98Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
5.14Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
6.99Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA1628108
Name:
(17-alpha(phenylethynyl)-17beta-estradiol)tricarbonylchromiumMol. Formula:
C29H30CrO5M.W.:
510.55Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA1628107
Name:
(alpha,beta)-[Cp*Ru(17beta-estradiol)][PF6-]Mol. Formula:
C28H40F6O2PRu-M.W.:
654.66Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA1628101
Name:
(17-alpha-phenyl-17beta-estradiol)tricarbonylchromiumMol. Formula:
C28H32CrO5M.W.:
500.56Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA1628100
Name:
(alpha,beta)-[Cp*Ru(17beta-estradiol)][CF3SO3]Mol. Formula:
C29H40F3O5RuSM.W.:
658.77Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS
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