2-Chloro-3-(2-methoxyethylamino)naphthalene-1,4-dioneName:
2-Chloro-3-[(2-methoxyethyl)amino]naphthalene-1,4-dioneMol. Formula:
C13H12ClNO3M.W.:
265.70Type:
Small moleculeAlogP:
1.75Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA4291077Name:
2-Chloro-3-(benzylamino)-naphthalene-1,4-dioneMol. Formula:
C17H12ClNO2M.W.:
297.74Type:
Small moleculeAlogP:
3.31Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.95DETAILS
ALA4290018Name:
4H-naphtho[2,3-b][1,4]thiazine-5,10-dione 1,1-dioxideMol. Formula:
C12H7NO4SM.W.:
261.26Type:
Small moleculeAlogP:
0.77Polar Surface Area:
80.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA4289608Name:
2-(hydroxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dioneMol. Formula:
C8H8O4M.W.:
168.15Type:
Small moleculeAlogP:
-0.41Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA4286829Name:
2-Chloro-3-{[3-(dimethylamino)propyl]amino}naphthalene-1,4-dioneMol. Formula:
C15H17ClN2O2M.W.:
292.77Type:
Small moleculeAlogP:
2.06Polar Surface Area:
49.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS- ALA4278910
Name:
2-Chloro-3-(isopentylamino)naphthalene-1,4-dioneMol. Formula:
C15H16ClNO2M.W.:
277.75Type:
Small moleculeAlogP:
3.15Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS
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