Molecular Properties | |
SMILES: | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1 |
MW: | 322.792 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 2.3051 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-04-27 |
Ketone
AAR-POS-d2a4d1df-1
LON-WEI-120e5cf5-10
0.677
MAR-TRE-6a44bbf2-86
0.629
LON-WEI-120e5cf5-15
0.629
LON-WEI-120e5cf5-20
0.594
LON-WEI-120e5cf5-11
0.574
LON-WEI-120e5cf5-2
0.558
MAK-UNK-90d0606b-8
0.526
LON-WEI-120e5cf5-3
0.521
LON-WEI-120e5cf5-21
0.507
LON-WEI-120e5cf5-4
0.507
LON-WEI-120e5cf5-6
0.500
AAR-POS-f650c5f2-4
0.500
LON-WEI-120e5cf5-17
0.500
AAR-POS-5507155c-2
0.500
LON-WEI-120e5cf5-1
0.500
LON-WEI-120e5cf5-13
0.493
LON-WEI-120e5cf5-9
0.488
AAR-POS-0daf6b7e-6
0.486
MAR-TRE-6a44bbf2-15
0.486
MAK-UNK-c97f7c8f-2
0.479
LON-WEI-120e5cf5-16
0.472
MAK-UNK-c97f7c8f-1
0.472
MAK-UNK-3d7e3904-2
0.461
MAK-UNK-750cfbcc-2
0.459
JAG-SYN-9c2cd0bd-8
0.451
ASH-SAT-43770c7d-7
0.451
SAD-SAT-29425be4-20
0.449
MAK-UNK-3d7e3904-3
0.442
LON-WEI-120e5cf5-14
0.432
BEN-DND-76ad4ac9-4
0.431
SAD-SAT-29425be4-14
0.429
LON-WEI-120e5cf5-12
0.425
SAD-SAT-29425be4-9
0.424
SAD-SAT-29425be4-25
0.420
MAK-UNK-69bf97dd-4
0.419
SAD-SAT-29425be4-8
0.416
MAK-UNK-a7992eb3-8
0.412
MAK-UNK-a7992eb3-7
0.410
NIR-THE-0d6461ce-1
0.400
LON-WEI-120e5cf5-18
0.400
LON-WEI-120e5cf5-7
0.398
SAD-SAT-29425be4-23
0.398
SAD-SAT-29425be4-15
0.395
MAR-TRE-6a44bbf2-65
0.395
TAT-ENA-80bfd3e5-43
0.395
MAK-UNK-7c9d1431-11
0.395
SAD-SAT-29425be4-13
0.390
SAD-SAT-29425be4-6
0.390
SAD-SAT-29425be4-4
0.389
JAG-SYN-9c2cd0bd-9
0.389
JAG-SYN-9c2cd0bd-4
0.389
SAD-SAT-29425be4-3
0.386
JAG-SYN-9c2cd0bd-3
0.384
MAK-UNK-69bf97dd-5
0.382
MED-COV-4280ac29-17
0.380
LON-WEI-120e5cf5-5
0.378
SAD-SAT-29425be4-5
0.376
SAD-SAT-29425be4-29
0.375
BEN-DND-031a96cc-1
0.375
DAN-MCD-0742953f-1
0.374
SAD-SAT-29425be4-19
0.373
SAD-SAT-29425be4-28
0.373
JAG-SYN-9c2cd0bd-7
0.373
MAK-UNK-a7992eb3-9
0.372
SAD-SAT-29425be4-12
0.372
MAK-UNK-69bf97dd-8
0.372
BEN-DND-031a96cc-5
0.372
MAK-UNK-750cfbcc-1
0.371
MAK-UNK-69bf97dd-1
0.371
AAR-POS-0daf6b7e-5
0.370
NIM-UNI-43fe0159-7
0.368
AHN-SAT-de2502ba-7
0.366
SAD-SAT-9a6c5cf3-10
0.365
MAK-UNK-750cfbcc-3
0.364
MAK-UNK-69bf97dd-7
0.364
MAR-TRE-6a44bbf2-79
0.364
MAK-UNK-69bf97dd-9
0.360
SAD-SAT-29425be4-10
0.360
MAK-UNK-3d7e3904-1
0.358
MAK-UNK-a7992eb3-1
0.357
YOI-UNK-15f562e8-1
0.355
MAK-UNK-750cfbcc-5
0.353
VIR-GIT-7b3d3065-2
0.353
MAK-UNK-a7992eb3-6
0.353
AAR-POS-0daf6b7e-9
0.353
SAD-SAT-29425be4-22
0.352
MAK-UNK-69bf97dd-6
0.352
JAG-SYN-9c2cd0bd-14
0.351
MAK-UNK-af83ef51-6
0.351
MAK-UNK-a7992eb3-5
0.350
YOI-UNK-a533afbc-6
0.349
YOI-UNK-12211982-6
0.349
BEN-DND-031a96cc-3
0.349
MAK-UNK-212f693e-13
0.347
MAK-UNK-a7992eb3-2
0.347
NIR-THE-0d6461ce-9
0.346
MAR-TRE-6a44bbf2-3
0.346
BEN-DND-031a96cc-2
0.345
SAD-SAT-d8079f6f-4
0.344
NIM-UNI-310206f0-22
0.344