Type:
UnknownAlogP:
3.08Polar Surface Area:
116.45HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
UnknownAlogP:
6.67Polar Surface Area:
128.20HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS
DeacetylcolchiceineName:
7-Amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-oneMol. Formula:
C19H21NO5M.W.:
343.38Type:
Small moleculeAlogP:
2.39Polar Surface Area:
91.01HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS- ALA3727794
Name:
6-(4,6-dihydroxy-3-oxo-3H-xanthen-9-yl)cyclohex-3-enecarboxylic acidMol. Formula:
C20H16O6M.W.:
352.34Type:
Small moleculeAlogP:
3.44Polar Surface Area:
107.97HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.00Polar Surface Area:
128.20HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA3731271
Name:
(E)-3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)acrylic acidMol. Formula:
C16H10O5M.W.:
282.25Type:
Small moleculeAlogP:
2.70Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
2.91Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA3727814
Name:
3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)propanoic acidMol. Formula:
C16H12O5M.W.:
284.27Type:
Small moleculeAlogP:
2.62Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3727667
Name:
1-(4-amino-2-methylquinolin-6-yl)-3-(4-amino-2-methylquinolin-7-yl)ureaMol. Formula:
C21H20N6OM.W.:
372.43Type:
Small moleculeAlogP:
4.21Polar Surface Area:
118.95HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3728058
Name:
2-bromo-1-(10-ethyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanoneMol. Formula:
C18H19BrOM.W.:
331.25Type:
Small moleculeAlogP:
4.86Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA3728876
Name:
bis(8-iodo-10-phenyl-5,10-dihydrophenazin- 2-yl)amineMol. Formula:
C36H25I2N5M.W.:
781.44Type:
Small moleculeAlogP:
11.69Polar Surface Area:
42.57HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA3732367
Name:
N1,N3-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethylmalonamideMol. Formula:
C26H27N5O2M.W.:
441.54Type:
Small moleculeAlogP:
4.34Polar Surface Area:
123.99HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS - 2-(4,5,6-TRIHYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID
Name:
2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acidMol. Formula:
C20H12O7M.W.:
364.31Type:
Small moleculeAlogP:
3.38Polar Surface Area:
128.20HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
6.20Polar Surface Area:
128.20HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
5.64Polar Surface Area:
128.20HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.08Polar Surface Area:
138.59HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS
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