Type:
---AlogP:
5.62Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
4.93Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA2448597Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C64H64N8O2ZnM.W.:
1042.66Type:
UnknownAlogP:
14.24Polar Surface Area:
149.38HBA:
8HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS
ALA2448496Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C56H39N8Na3O11S3ZnM.W.:
1230.53Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA2448486Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C60H41N8Na3O11S3ZnM.W.:
1280.59Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA2448485
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C52H37N8Na3O11S3ZnM.W.:
1180.47Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2448484
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C58H45N8Na3O11S3ZnM.W.:
1260.60Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2448483
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C60H41N8Na3O11S3ZnM.W.:
1280.59Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2448480
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C58H45N8Na3O11S3ZnM.W.:
1260.60Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2373174
Name:
(2,9,16,23-Tetrahydroxyphthalocyaninato)zinc(II)Mol. Formula:
C32H16N8O4ZnM.W.:
641.92Type:
Small moleculeAlogP:
5.69Polar Surface Area:
189.84HBA:
10HBD:
6#RO5 Violations:
3#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
149.38HBA:
8HBD:
4#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA2373172
Name:
(phthalocyaninato)zinc(II)Cas Number:
14320-04-8Mol. Formula:
C32H16N8ZnM.W.:
577.93Type:
Small moleculeAlogP:
6.87Polar Surface Area:
108.92HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
129.15HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
149.38HBA:
8HBD:
4#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
169.61HBA:
9HBD:
5#RO5 Violations:
2#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA2373131
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C64H62N8O2ZnM.W.:
1040.64Type:
UnknownAlogP:
14.24Polar Surface Area:
149.38HBA:
8HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA2373130
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C76H68N8O2ZnM.W.:
1190.82Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2373129
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C70H70N8O2ZnM.W.:
1120.77Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2373128
Name:
PhthalocyanineEstradiol Conjugate derivativeMol. Formula:
C72H66N8O2ZnM.W.:
1140.76Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
1.58Polar Surface Area:
92.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS
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