Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(C(=O)N(CC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c2ccc3ccccc3c2)CC1 |
MW: | 579.16 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 95.07 |
cLogP: | 3.99 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
β-Aminonaphtalenes
Filter88_ene_sulfone
Long aliphatic chain
AAR-POS-0daf6b7e-6
AAR-POS-0daf6b7e-1
0.444
LON-WEI-120e5cf5-5
0.385
JAN-GHE-4287bd1a-8
0.377
MAK-UNK-7c9d1431-15
0.364
JAN-GHE-4287bd1a-7
0.358
MAK-UNK-c74072e5-5
0.341
AAR-POS-0daf6b7e-7
0.337
AAR-POS-0daf6b7e-8
0.333
THO-SYG-98fc3427-2
0.330
MAK-UNK-752736de-1
0.327
YOI-UNK-12211982-6
0.324
YOI-UNK-a533afbc-6
0.324
THO-SYG-98fc3427-1
0.320
MAK-UNK-c74072e5-3
0.317
DRR-IMP-db50bf6e-2
0.314
SAD-SAT-29425be4-16
0.310
WAR-XCH-bdd24732-27
0.308
MAR-TRE-6a44bbf2-86
0.307
LON-WEI-120e5cf5-15
0.307
SAD-SAT-29425be4-23
0.301
GIA-UNK-7337c2f3-15
0.297
LON-WEI-120e5cf5-20
0.291
TAT-ENA-80bfd3e5-5
0.289
LON-WEI-120e5cf5-14
0.289
VIR-GIT-7b3d3065-3
0.289
AAR-POS-0daf6b7e-19
0.289
SAD-SAT-29425be4-27
0.288
SAD-SAT-29425be4-29
0.288
MAK-UNK-7c9d1431-3
0.287
DRR-IMP-dff87f5e-2
0.287
SAD-SAT-29425be4-5
0.287
MAK-UNK-a7992eb3-7
0.287
SAL-INS-1c7a5a55-7
0.287
YOI-UNK-15f562e8-1
0.287
MAK-UNK-69bf97dd-8
0.284
YOI-UNK-12211982-2
0.284
YOI-UNK-a533afbc-2
0.284
SAD-SAT-29425be4-30
0.283
MAK-UNK-69bf97dd-6
0.283
LON-WEI-120e5cf5-12
0.283
NIR-THE-0d6461ce-11
0.283
JAR-IMP-ed466bb3-18
0.282
SAL-INS-1c7a5a55-8
0.282
YOI-UNK-15f562e8-5
0.280
MAK-UNK-69bf97dd-7
0.280
SAD-SAT-29425be4-4
0.279
THO-SYG-98fc3427-8
0.277
THO-SYG-98fc3427-10
0.275
MAK-UNK-69bf97dd-4
0.275
LON-WEI-120e5cf5-9
0.275
SAD-SAT-29425be4-17
0.275
SAD-SAT-29425be4-15
0.274
SAD-SAT-29425be4-20
0.274
AAR-POS-0daf6b7e-6
0.274
MAR-TRE-6a44bbf2-15
0.274
SAD-SAT-29425be4-11
0.274
THO-SYG-98fc3427-9
0.273
SAD-SAT-29425be4-22
0.273
LON-WEI-120e5cf5-13
0.273
SEL-UNI-49ab05bd-2
0.273
MED-COV-4280ac29-4
0.272
AAR-POS-0daf6b7e-5
0.272
SAD-SAT-29425be4-7
0.271
THO-SYG-98fc3427-11
0.270
SAD-SAT-29425be4-3
0.270
NIM-UNI-13494739-7
0.269
TAT-ENA-80bfd3e5-17
0.269
LON-WEI-120e5cf5-16
0.269
MAR-TRE-6a44bbf2-9
0.269
MAK-UNK-c97f7c8f-1
0.269
MAK-UNK-902cc841-5
0.268
MAK-UNK-3d7e3904-2
0.268
SAD-SAT-29425be4-9
0.267
SAD-SAT-29425be4-26
0.266
LON-WEI-120e5cf5-11
0.266
MAK-UNK-3e0761f8-8
0.266
SAD-SAT-9a6c5cf3-4
0.266
MAK-UNK-6ca90168-11
0.265
SAD-SAT-f0a2747f-3
0.264
BEN-DND-76ad4ac9-4
0.264
MAK-UNK-750cfbcc-2
0.263
MAK-UNK-8fdbca50-25
0.262
SAD-SAT-29425be4-18
0.262
HAN-NEW-5f56c3bc-5
0.262
NIR-THE-0d6461ce-8
0.262
LON-WEI-120e5cf5-10
0.262
SAD-SAT-29425be4-28
0.261
SAD-SAT-29425be4-19
0.261
MAK-UNK-750cfbcc-3
0.260
MAR-TRE-6a44bbf2-79
0.260
NIR-THE-0d6461ce-1
0.259
NIR-THE-0d6461ce-9
0.259
MAK-UNK-3d7e3904-1
0.259
LON-WEI-120e5cf5-19
0.259
LON-WEI-120e5cf5-21
0.259
LON-WEI-120e5cf5-2
0.258
SAD-SAT-29425be4-25
0.258
MAK-UNK-8fdbca50-24
0.257
MAK-UNK-8fdbca50-22
0.257
MAK-UNK-3d7e3904-3
0.257