Molecular Properties | |
SMILES: | Nc1cc2c(cn1)N(Cc1cc(O)ccc1O)CCN2C(=O)CCl |
MW: | 348.79 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 102.92 |
cLogP: | 1.667 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
para_hydroquinone
hydroquinone
o-Substituted phenols (2)
aniline
dihydroxybenzene
mannich_A(296)
NEH-REV-107bcf72-5
0.416
NEH-REV-107bcf72-4
0.410
AVI-UNI-70b60925-2
0.366
MAK-UNK-df1a028e-1
0.360
AVI-UNI-c9bf710f-2
0.305
MAR-TRE-6a44bbf2-33
0.282
SAD-SAT-5b1897b2-7
0.282
AVI-UNI-70b60925-1
0.269
NEH-REV-107bcf72-3
0.245
NIM-UNI-43fe0159-3
0.244
MAK-UNK-e4a48a85-22
0.243
ASH-SAT-43770c7d-5
0.239
MAK-UNK-af83ef51-27
0.239
MAT-POS-ee51dedd-3
0.238
JOE-SYG-2c9a1216-2
0.238
BRU-LEF-ae0885ba-1
0.237
DAR-DIA-fb20be43-4
0.237
PAU-UNI-52c0427f-1
0.237
MAK-UNK-af83ef51-18
0.236
DRR-IMP-38dce17f-1
0.235
MED-COV-4280ac29-35
0.235
ASH-SAT-43770c7d-4
0.234
ALP-POS-cd485364-2
0.233
BOG-INS-15b226b5-1
0.232
MAK-UNK-e4a48a85-20
0.230
MAK-UNK-849bee6c-7
0.230
MAK-UNK-849bee6c-12
0.229
MAK-UNK-e4a48a85-21
0.228
MAK-UNK-849bee6c-9
0.228
SAD-SAT-581007d4-7
0.227
SAD-SAT-5b1897b2-8
0.227
NIM-UNI-43fe0159-1
0.227
MAT-POS-2db6411e-2
0.227
AHN-SAT-de2502ba-11
0.227
AVI-UNI-c9bf710f-1
0.226
MED-COV-4280ac29-19
0.225
DAR-DIA-5a24bef0-8
0.225
NEH-REV-107bcf72-2
0.225
SEB-HKI-06b43755-2
0.225
BAR-COM-0f94fc3d-26
0.224
MAK-UNK-1ac43cfa-1
0.222
TAM-UNI-d1c3dd9f-17
0.222
SAM-UNK-2684b532-14
0.222
MAK-UNK-849bee6c-14
0.221
MAR-TRE-6a44bbf2-46
0.221
AAR-POS-0daf6b7e-13
0.221
LON-WEI-8f408cad-7
0.221
MAK-UNK-212f693e-8
0.221
JOO-PER-58e158bd-1
0.220
DAV-CRI-d1e0885a-3
0.220
DAR-DIA-fb20be43-7
0.220
AHN-SAT-de2502ba-15
0.220
MAR-TRE-be9ff7d2-90
0.220
DRR-IMP-38dce17f-5
0.218
DRR-IMP-38dce17f-7
0.218
MAK-UNK-6ca90168-14
0.218
AAR-POS-0daf6b7e-2
0.218
MAT-POS-162a9720-5
0.218
SAD-SAT-bc31ec01-1
0.218
MAK-UNK-849bee6c-3
0.218
MAK-UNK-849bee6c-2
0.218
DAR-DIA-fb20be43-17
0.218
JUL-TUD-06b2044f-91
0.218
NIM-UNI-05f93fcc-9
0.218
MAK-UNK-849bee6c-16
0.217
MAK-UNK-849bee6c-4
0.217
DRR-IMP-38dce17f-4
0.216
JOH-UNI-0e1753c1-3
0.216
AAR-POS-d2a4d1df-35
0.216
MED-COV-4280ac29-15
0.216
HYO-UNK-49a60884-1
0.216
MAR-TRE-36bf7dba-46
0.216
DAV-CRI-d1e0885a-2
0.216
NIR-THE-0d6461ce-6
0.216
MAT-POS-ee51dedd-1
0.215
MAK-UNK-7c9d1431-16
0.215
MAR-TRE-6a44bbf2-54
0.215
MAK-UNK-849bee6c-6
0.215
MAR-TRE-0fda4e82-4
0.215
MAR-TRE-6a44bbf2-22
0.214
PAU-UNI-19862c28-1
0.214
DAR-DIA-fb20be43-8
0.214
MED-COV-4280ac29-37
0.214
MAK-UNK-7c9d1431-29
0.214
MAK-UNK-7c9d1431-26
0.214
MED-COV-4280ac29-2
0.214
PAU-UNI-2d648ace-1
0.213
JUL-TUD-06b2044f-112
0.213
SAD-SAT-581007d4-3
0.213
MAK-UNK-e4a48a85-27
0.212
SEL-UNI-cd366922-7
0.212
MAR-TRE-aca67d11-99
0.212
MAK-UNK-987948f6-8
0.212
DRR-IMP-38dce17f-6
0.212
PAU-UNI-8cdd41c7-1
0.212
TAM-UNI-d1c3dd9f-4
0.212
STU-CHA-464c0256-1
0.212
NIM-UNI-43fe0159-4
0.211
MED-COV-4280ac29-13
0.211
MAK-UNK-af83ef51-1
0.211