Molecular Properties | |
SMILES: | CC(C)(CNC(=O)C1CCN(C(=O)CCl)CC1)c1coc(-c2ccccc2)n1 |
MW: | 403.17 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.44 |
cLogP: | 3.21 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SAD-SAT-29425be4-20
0.488
LON-WEI-120e5cf5-15
0.450
MAR-TRE-6a44bbf2-86
0.450
SAD-SAT-29425be4-14
0.420
SAD-SAT-29425be4-23
0.409
SAD-SAT-29425be4-6
0.402
SAD-SAT-29425be4-9
0.402
LON-WEI-120e5cf5-20
0.393
SAD-SAT-29425be4-15
0.391
LON-WEI-120e5cf5-19
0.389
SAD-SAT-29425be4-29
0.388
LON-WEI-120e5cf5-12
0.387
LON-WEI-120e5cf5-10
0.384
LON-WEI-120e5cf5-14
0.379
MAK-UNK-69bf97dd-7
0.378
MAK-UNK-69bf97dd-9
0.375
LON-WEI-120e5cf5-21
0.374
MAK-UNK-69bf97dd-8
0.371
LON-WEI-120e5cf5-11
0.371
MAK-UNK-3d7e3904-2
0.370
SAD-SAT-29425be4-3
0.368
MAK-UNK-750cfbcc-2
0.368
MAR-TRE-6a44bbf2-15
0.368
AAR-POS-0daf6b7e-6
0.368
LON-WEI-120e5cf5-3
0.367
MAK-UNK-69bf97dd-6
0.366
LON-WEI-120e5cf5-2
0.364
LON-WEI-120e5cf5-5
0.360
LON-WEI-120e5cf5-16
0.360
MAK-UNK-c97f7c8f-1
0.360
SAD-SAT-29425be4-19
0.358
MAK-UNK-69bf97dd-1
0.356
LON-WEI-120e5cf5-1
0.355
LON-WEI-120e5cf5-17
0.355
AAR-POS-5507155c-2
0.355
MAK-UNK-3d7e3904-3
0.355
AAR-POS-f650c5f2-4
0.355
MAK-UNK-c97f7c8f-2
0.352
LON-WEI-120e5cf5-13
0.348
SAD-SAT-29425be4-16
0.347
YOI-UNK-15f562e8-1
0.343
LON-WEI-120e5cf5-7
0.340
YOI-UNK-12211982-6
0.337
YOI-UNK-a533afbc-6
0.337
SAD-SAT-29425be4-10
0.336
SAD-SAT-29425be4-25
0.333
LON-WEI-120e5cf5-4
0.333
SAD-SAT-29425be4-26
0.330
YOI-UNK-a533afbc-1
0.330
YOI-UNK-12211982-1
0.330
MAK-UNK-69bf97dd-3
0.330
SAD-SAT-29425be4-28
0.330
MAR-TRE-6a44bbf2-9
0.330
MAK-UNK-a7992eb3-5
0.327
MED-COV-4280ac29-17
0.327
JAG-SYN-9c2cd0bd-8
0.326
MAK-UNK-704ed37c-9
0.326
MAK-UNK-a7992eb3-2
0.325
YOI-UNK-a533afbc-4
0.324
MAK-UNK-a7992eb3-8
0.324
YOI-UNK-12211982-4
0.324
AAR-POS-0daf6b7e-5
0.322
LON-WEI-120e5cf5-6
0.321
MAK-UNK-a7992eb3-7
0.320
MAK-UNK-69bf97dd-4
0.317
LON-WEI-120e5cf5-9
0.317
SAD-SAT-29425be4-12
0.317
SAD-SAT-29425be4-13
0.316
GIA-UNK-a79af1bc-1
0.315
MAK-UNK-6ca90168-11
0.314
MAR-TRE-6a44bbf2-79
0.312
MAK-UNK-750cfbcc-3
0.312
MAK-UNK-af83ef51-2
0.311
MAK-UNK-a7992eb3-1
0.310
MAK-UNK-a7992eb3-9
0.309
MAR-TRE-6a44bbf2-53
0.309
MAK-UNK-7c9d1431-25
0.309
MAK-UNK-69bf97dd-10
0.308
MAK-UNK-a7992eb3-4
0.308
SAD-SAT-29425be4-5
0.307
PAU-WEI-c6d65c11-1
0.307
DUN-NEW-f8ce3686-25
0.306
MAK-UNK-704ed37c-5
0.306
AAR-POS-0daf6b7e-9
0.305
VIR-GIT-7b3d3065-2
0.305
MAK-UNK-750cfbcc-5
0.305
MAK-UNK-69bf97dd-2
0.303
MAK-UNK-704ed37c-2
0.302
MAK-UNK-704ed37c-7
0.302
MAK-UNK-3d7e3904-1
0.302
MAK-UNK-69bf97dd-5
0.302
WAR-XCH-b0339bbe-19
0.299
MAK-UNK-704ed37c-6
0.299
MAK-UNK-750cfbcc-1
0.299
SAD-SAT-29425be4-7
0.298
SAD-SAT-f2e2579e-4
0.298
SAD-SAT-9a6c5cf3-7
0.298
MAK-UNK-af83ef51-1
0.298
SAD-SAT-9a6c5cf3-10
0.297
BEN-DND-76ad4ac9-4
0.297