Molecular Properties | |
SMILES: | COC(=O)C(C)(C)N(Cc1cccc(OC)c1OC)C(=O)C1CCN(C(=O)CCl)CC1 |
MW: | 454.19 |
Fraction sp3: | 0.59 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 85.38 |
cLogP: | 2.46 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ester
Long aliphatic chain
MED-COV-4280ac29-15
SAD-SAT-29425be4-11
0.394
LON-WEI-120e5cf5-3
0.391
SAD-SAT-29425be4-8
0.390
LON-WEI-120e5cf5-5
0.386
SAD-SAT-29425be4-18
0.382
AAR-POS-5507155c-2
0.378
AAR-POS-f650c5f2-4
0.378
LON-WEI-120e5cf5-17
0.378
LON-WEI-120e5cf5-1
0.378
VIR-GIT-7b3d3065-3
0.372
AAR-POS-0daf6b7e-19
0.372
SAD-SAT-29425be4-21
0.371
SAD-SAT-29425be4-1
0.360
YOI-UNK-a533afbc-6
0.359
YOI-UNK-12211982-6
0.359
YOI-UNK-15f562e8-5
0.358
SAD-SAT-29425be4-23
0.358
SAD-SAT-29425be4-20
0.355
SAD-SAT-29425be4-5
0.354
SAD-SAT-29425be4-16
0.354
SAD-SAT-29425be4-7
0.352
LON-WEI-120e5cf5-19
0.352
SAD-SAT-29425be4-30
0.347
MAK-UNK-af83ef51-6
0.345
MAK-UNK-750cfbcc-2
0.342
MAR-TRE-6a44bbf2-86
0.341
LON-WEI-120e5cf5-15
0.341
NIR-THE-0d6461ce-1
0.341
MAK-UNK-a7992eb3-7
0.340
SAD-SAT-29425be4-9
0.340
SAD-SAT-29425be4-14
0.337
MAR-TRE-6a44bbf2-15
0.330
AAR-POS-0daf6b7e-6
0.330
SAD-SAT-29425be4-27
0.327
SAD-SAT-29425be4-6
0.323
LON-WEI-120e5cf5-21
0.323
JON-UNI-bb9dc649-8
0.322
MAK-UNK-c97f7c8f-1
0.322
BEN-DND-76ad4ac9-4
0.318
LON-WEI-120e5cf5-2
0.317
MAK-UNK-c97f7c8f-2
0.315
LON-WEI-120e5cf5-10
0.315
SAD-SAT-29425be4-17
0.315
YOI-UNK-a533afbc-2
0.312
YOI-UNK-12211982-2
0.312
LON-WEI-120e5cf5-13
0.312
SAD-SAT-29425be4-2
0.311
MAK-UNK-69bf97dd-4
0.311
MAK-UNK-69bf97dd-8
0.310
SAD-SAT-29425be4-19
0.309
LON-WEI-120e5cf5-16
0.308
LON-WEI-120e5cf5-20
0.307
MAK-UNK-750cfbcc-1
0.307
SAD-SAT-29425be4-3
0.306
LON-WEI-120e5cf5-11
0.304
MAK-UNK-69bf97dd-7
0.304
MAK-UNK-a7992eb3-8
0.304
SAD-SAT-29425be4-25
0.302
BEN-DND-76ad4ac9-7
0.300
WAR-XCH-79d12f6e-4
0.300
SAD-SAT-29425be4-26
0.299
MAK-UNK-7c9d1431-30
0.298
MAR-TRE-6a44bbf2-45
0.298
NIR-THE-0d6461ce-9
0.297
SAD-SAT-29425be4-28
0.296
NIR-THE-0d6461ce-11
0.296
MED-COV-4280ac29-4
0.296
MAK-UNK-69bf97dd-6
0.295
SAD-SAT-f2e2579e-1
0.295
JON-UNI-bb9dc649-5
0.293
MAK-UNK-987948f6-15
0.292
MAK-UNK-3d7e3904-2
0.292
MAK-UNK-3d7e3904-3
0.292
SAD-SAT-f2e2579e-4
0.291
LON-WEI-120e5cf5-6
0.291
SAD-SAT-9a6c5cf3-10
0.290
LON-WEI-120e5cf5-14
0.290
SAD-SAT-29425be4-4
0.290
MAK-UNK-69bf97dd-10
0.290
SAD-SAT-29425be4-29
0.288
MAR-TRE-6a44bbf2-79
0.287
MAK-UNK-750cfbcc-3
0.287
PEI-IMP-ca0b2813-3
0.287
MAK-UNK-10dfa458-40
0.287
VIK-SYN-9a3d118a-8
0.287
NIR-THE-0d6461ce-10
0.287
WAR-XCH-72a8c209-6
0.287
NIR-THE-0d6461ce-12
0.287
MAK-UNK-e4a48a85-26
0.287
YOI-UNK-15f562e8-1
0.287
MAK-UNK-a7992eb3-5
0.287
MAK-UNK-8fdbca50-41
0.287
MAK-UNK-8fdbca50-26
0.287
MAK-UNK-8fdbca50-4
0.287
SAD-SAT-29425be4-15
0.286
LON-WEI-120e5cf5-9
0.286
MAK-UNK-69bf97dd-1
0.286
NIR-THE-0d6461ce-8
0.286
MAK-UNK-8fdbca50-24
0.285
MED-COV-4280ac29-17
0.284