Molecular Properties | |
SMILES: | Cc1cccc(C(C)(C)CNC(=O)C2CCN(C(=O)CCl)CC2)c1 |
MW: | 350.18 |
Fraction sp3: | 0.58 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 49.41 |
cLogP: | 2.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SAD-SAT-29425be4-4
0.488
LON-WEI-120e5cf5-13
0.474
SAD-SAT-29425be4-14
0.468
SAD-SAT-29425be4-6
0.463
MAK-UNK-750cfbcc-2
0.460
SAD-SAT-29425be4-9
0.459
SAD-SAT-29425be4-23
0.451
LON-WEI-120e5cf5-19
0.449
NIR-THE-0d6461ce-1
0.440
SAD-SAT-29425be4-3
0.439
MAK-UNK-c97f7c8f-1
0.434
SAD-SAT-29425be4-15
0.432
LON-WEI-120e5cf5-21
0.430
SAD-SAT-29425be4-19
0.427
MAK-UNK-af83ef51-6
0.427
MAR-TRE-6a44bbf2-86
0.425
LON-WEI-120e5cf5-15
0.425
SAD-SAT-29425be4-25
0.422
LON-WEI-120e5cf5-16
0.416
MAR-TRE-6a44bbf2-15
0.408
AAR-POS-0daf6b7e-6
0.408
LON-WEI-120e5cf5-10
0.408
MAK-UNK-69bf97dd-8
0.407
MAK-UNK-69bf97dd-1
0.404
LON-WEI-120e5cf5-14
0.400
LON-WEI-120e5cf5-20
0.400
MAK-UNK-69bf97dd-7
0.398
MAK-UNK-69bf97dd-9
0.395
LON-WEI-120e5cf5-11
0.392
AAR-POS-d2a4d1df-24
0.392
LON-WEI-120e5cf5-3
0.388
MAK-UNK-c97f7c8f-2
0.388
MAK-UNK-69bf97dd-6
0.385
SAD-SAT-5b1897b2-4
0.384
SAD-SAT-29425be4-29
0.378
BEN-DND-76ad4ac9-4
0.377
MED-COV-4280ac29-4
0.376
NIR-THE-0d6461ce-11
0.376
MAK-UNK-69bf97dd-4
0.374
LON-WEI-120e5cf5-17
0.373
AAR-POS-5507155c-2
0.373
AAR-POS-f650c5f2-4
0.373
LON-WEI-120e5cf5-1
0.373
MAK-UNK-3d7e3904-2
0.373
MAK-UNK-3d7e3904-3
0.373
LON-WEI-120e5cf5-7
0.370
LON-WEI-120e5cf5-2
0.367
SAD-SAT-29425be4-18
0.365
MAK-UNK-a7992eb3-7
0.364
LON-WEI-120e5cf5-5
0.364
NIR-THE-0d6461ce-12
0.364
NIR-THE-0d6461ce-10
0.364
GIA-UNK-a79af1bc-1
0.364
LON-WEI-120e5cf5-12
0.360
SAD-SAT-29425be4-13
0.360
SAD-SAT-29425be4-28
0.360
SAD-SAT-29425be4-12
0.360
MAK-UNK-69bf97dd-3
0.359
SAD-SAT-29425be4-8
0.358
SAD-SAT-29425be4-26
0.358
YOI-UNK-15f562e8-1
0.358
SAD-SAT-29425be4-22
0.355
MAK-UNK-750cfbcc-1
0.354
YOI-UNK-12211982-6
0.353
MIH-UNI-e573136b-7
0.353
YOI-UNK-a533afbc-6
0.353
STU-CHA-0be58c98-1
0.352
NIR-THE-0d6461ce-9
0.350
SAD-SAT-29425be4-10
0.350
LON-WEI-120e5cf5-4
0.349
SEL-UNI-cd366922-9
0.349
SAD-SAT-29425be4-5
0.348
MAK-UNK-750cfbcc-3
0.348
MAR-TRE-6a44bbf2-79
0.348
LON-WEI-120e5cf5-6
0.347
MED-COV-4280ac29-7
0.345
MAK-UNK-3d7e3904-1
0.345
STU-CHA-07310c75-1
0.345
LON-WEI-120e5cf5-9
0.344
MAK-UNK-704ed37c-1
0.342
NIL-NON-a189c016-1
0.342
MAT-POS-162a9720-2
0.342
LON-WEI-120e5cf5-18
0.341
SAD-SAT-9a6c5cf3-4
0.340
MAK-UNK-750cfbcc-5
0.338
AAR-POS-0daf6b7e-9
0.338
VIR-GIT-7b3d3065-2
0.338
MAK-UNK-704ed37c-3
0.338
WAR-XCH-79d12f6e-4
0.338
BEN-DND-76ad4ac9-7
0.338
NIR-THE-0d6461ce-8
0.338
GIA-UNK-7337c2f3-8
0.337
MAK-UNK-a7992eb3-8
0.337
SAD-SAT-9a6c5cf3-7
0.337
MED-COV-4280ac29-23
0.333
MAK-UNK-704ed37c-7
0.333
SAD-SAT-29425be4-7
0.333
YOI-UNK-a533afbc-1
0.330
YOI-UNK-12211982-1
0.330
VIR-GIT-7b3d3065-3
0.329