Molecular Properties | |
SMILES: | N#Cc1ccc(/C=C/C2=CC(N3CC4CC3CN4C(=O)CCl)OC2=O)cc1 |
MW: | 383.1 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 73.64 |
cLogP: | 1.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (2)
Filter44_michael_acceptor2
Ester
vinyl michael acceptor1
phenylethene
MED-COV-4280ac29-15
FAB-UNK-7ad5ab26-1
0.558
FAB-UNK-03d90bbc-1
0.558
FAB-NA_-a03f4448-1
0.558
MAK-UNK-3f402c2b-13
0.347
MAK-UNK-ec98eaf6-21
0.333
DAR-DIA-3e9bbd81-7
0.333
MAK-UNK-10799360-22
0.324
DAR-DIA-3e9bbd81-2
0.320
MAK-UNK-5d2caa6f-3
0.319
MAK-UNK-3f402c2b-26
0.319
MAK-UNK-3f402c2b-7
0.318
MAK-UNK-ec98eaf6-22
0.314
MAK-UNK-ec98eaf6-51
0.312
MAK-UNK-3f402c2b-3
0.312
DAR-DIA-3e9bbd81-13
0.310
PEI-IMP-e4a008a2-1
0.308
MAK-UNK-3f402c2b-29
0.308
MAK-UNK-ec98eaf6-52
0.307
MAK-UNK-ec98eaf6-53
0.306
MAK-UNK-3f402c2b-11
0.305
MAK-UNK-ec98eaf6-13
0.305
MAK-UNK-5d2caa6f-24
0.305
MAK-UNK-ec98eaf6-25
0.304
MAK-UNK-3f402c2b-4
0.303
DAR-DIA-3e9bbd81-8
0.303
MAK-UNK-3f402c2b-2
0.302
MAK-UNK-ec98eaf6-4
0.302
MAK-UNK-5d2caa6f-12
0.302
MAK-UNK-ec98eaf6-15
0.302
MAK-UNK-3f402c2b-9
0.301
MAK-UNK-5d2caa6f-7
0.301
DRR-IMP-dff87f5e-9
0.300
MAK-UNK-3f402c2b-25
0.300
MAK-UNK-5d2caa6f-5
0.300
MAK-UNK-3f402c2b-17
0.299
MAK-UNK-3f402c2b-1
0.298
MAK-UNK-3f402c2b-6
0.298
DAR-DIA-3e9bbd81-6
0.297
MAK-UNK-3e0761f8-9
0.297
MAK-UNK-3f402c2b-27
0.297
MAK-UNK-df1a028e-9
0.297
MAK-UNK-ec98eaf6-10
0.295
MAK-UNK-3f402c2b-15
0.293
MAK-UNK-5d2caa6f-4
0.293
MAK-UNK-10799360-36
0.292
DAR-DIA-3e9bbd81-9
0.291
MAK-UNK-3f402c2b-16
0.290
MAK-UNK-3f402c2b-5
0.290
MAK-UNK-90d0606b-3
0.290
MAK-UNK-3f402c2b-12
0.289
MAK-UNK-10799360-5
0.288
MAK-UNK-ec98eaf6-16
0.288
MAK-UNK-3f402c2b-21
0.287
DAN-LON-a5fc619e-8
0.287
MAK-UNK-ec98eaf6-3
0.287
MAK-UNK-df1a028e-8
0.286
MAK-UNK-10799360-6
0.284
MAK-UNK-3f402c2b-24
0.284
MAK-UNK-6ca90168-14
0.284
DRR-IMP-38dce17f-7
0.284
MAK-UNK-987948f6-3
0.284
MAK-UNK-3f402c2b-14
0.283
MAK-UNK-3f402c2b-22
0.280
FAB-UNK-7ad5ab26-3
0.279
MAK-UNK-df1a028e-1
0.278
MAK-UNK-10799360-21
0.278
MAK-UNK-ec98eaf6-1
0.276
MAK-UNK-df1a028e-4
0.276
AHN-SAT-721e3e40-1
0.275
SAD-SAT-3a925b8b-8
0.274
MAK-UNK-ec98eaf6-11
0.274
MAK-UNK-ec98eaf6-19
0.274
MAK-UNK-3e0761f8-4
0.274
DAR-DIA-3e9bbd81-3
0.272
MAK-UNK-ec98eaf6-6
0.272
MAK-UNK-ec98eaf6-9
0.272
SAD-SAT-f2e2579e-10
0.272
MAK-UNK-10799360-4
0.268
MAK-UNK-ec98eaf6-14
0.267
SWA-SYN-6423ea73-7
0.266
SWA-SYN-d2e6fa14-7
0.266
MAK-UNK-bae89c02-4
0.265
MIC-UNK-df342a3f-1
0.264
MAK-UNK-ec98eaf6-24
0.262
MAK-UNK-bae89c02-3
0.262
MAK-UNK-df1a028e-6
0.260
MAK-UNK-ec98eaf6-20
0.260
MAK-UNK-ec98eaf6-2
0.259
MAK-UNK-ec98eaf6-23
0.259
MAK-UNK-ec98eaf6-37
0.259
MIC-UNK-df342a3f-2
0.259
MAK-UNK-bae89c02-2
0.259
TAT-ENA-80bfd3e5-10
0.257
DAR-DIA-3e9bbd81-1
0.257
MAK-UNK-ec98eaf6-49
0.257
FAB-UNK-7ad5ab26-2
0.257
SAD-SAT-581007d4-9
0.255
MAK-UNK-90d0606b-1
0.255
MAK-UNK-ec98eaf6-17
0.255
MAK-UNK-ec98eaf6-38
0.253