ALA5209409Name:
5-[15-(3-hydroxy-4-iodo-phenyl)-21,23-dihydroporphyrin-5-yl]-2-iodo-phenolMol. Formula:
C32H20I2N4O2M.W.:
746.35Type:
---AlogP:
8.61Polar Surface Area:
97.82HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA5202776Name:
3-[15-(3-hydroxy-2-iodo-phenyl)-21,23-dihydroporphyrin-5-yl]-2-iodo-phenolMol. Formula:
C32H20I2N4O2M.W.:
746.35Type:
---AlogP:
8.61Polar Surface Area:
97.82HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA5200801Name:
3-[15-(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenolMol. Formula:
C32H22N4O2M.W.:
494.55Type:
---AlogP:
7.40Polar Surface Area:
97.82HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
---AlogP:
13.20Polar Surface Area:
138.28HBA:
6HBD:
6#RO5 Violations:
3#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
---AlogP:
8.71Polar Surface Area:
97.82HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.17DETAILS- ALA5183485
Name:
4-bromo-3-[15-(2-bromo-5-hydroxy-phenyl)-21,23-dihydroporphyrin-5-yl]phenolMol. Formula:
C32H20Br2N4O2M.W.:
652.35Type:
---AlogP:
8.93Polar Surface Area:
97.82HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4639023
Name:
3-bromo-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)propanamideMol. Formula:
C10H11BBrNO3M.W.:
283.92Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4545616
Name:
(17S,20R,22R)-4-beta,7-beta,18,20-tetrahydroxy-1-oxowitha-2,5,24-trienolideMol. Formula:
C28H38O7M.W.:
486.61Type:
UnknownAlogP:
2.23Polar Surface Area:
124.29HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3814307
Name:
N-Hexyl-3-(3,4,5-trihydroxyphenyl)-2-propenamideMol. Formula:
C15H21NO4M.W.:
279.34Type:
Small moleculeAlogP:
2.51Polar Surface Area:
89.79HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3582423
Name:
(E)-2-cyano-3-(4-(diphenylamino)-2-methoxyphenyl)acrylate sodiumMol. Formula:
C23H17N2NaO3M.W.:
392.39Type:
Small moleculeAlogP:
5.16Polar Surface Area:
73.56HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.20Polar Surface Area:
66.48HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
6.10Polar Surface Area:
66.48HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.66Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA3115632
Name:
Methyl 17R-8-chloro-2,17-cyclo-aureanindol-15-ene-21-oateMol. Formula:
C24H28ClNO2M.W.:
397.95Type:
Small moleculeAlogP:
6.17Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3115631
Name:
Methyl 17R-8-bromo-2,17-cyclo-aureanindol-15-ene-21-oateMol. Formula:
C24H28BrNO2M.W.:
442.40Type:
Small moleculeAlogP:
6.28Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS
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