Molecular Properties | |
SMILES: | CC(=O)c1cccc(NC(=O)C2CC3CC2CN3C(=O)CCl)c1 |
MW: | 334.11 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 2.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ketone
MED-COV-4280ac29-15
MAK-UNK-3e0761f8-1
0.706
MAK-UNK-5d2caa6f-20
0.662
MAK-UNK-5d2caa6f-16
0.629
MAK-UNK-5d2caa6f-19
0.598
MAK-UNK-5d2caa6f-1
0.595
MAK-UNK-90d0606b-2
0.566
MAK-UNK-90d0606b-10
0.537
MAK-UNK-3f402c2b-19
0.533
MAK-UNK-5d2caa6f-14
0.529
LON-WEI-120e5cf5-19
0.526
MAK-UNK-3e0761f8-5
0.525
MAK-UNK-90d0606b-9
0.525
MAK-UNK-5d2caa6f-18
0.521
MAK-UNK-5d2caa6f-21
0.513
MAK-UNK-5d2caa6f-17
0.512
MAK-UNK-5d2caa6f-13
0.471
MAK-UNK-5d2caa6f-15
0.455
MAK-UNK-5d2caa6f-22
0.455
MAK-UNK-3e0761f8-3
0.451
MAK-UNK-3e0761f8-8
0.430
MAK-UNK-ec98eaf6-5
0.410
MAK-UNK-ec98eaf6-32
0.410
MAK-UNK-3f402c2b-28
0.395
MAK-UNK-10799360-24
0.389
MAK-UNK-3f402c2b-18
0.383
MAK-UNK-10799360-25
0.372
MAK-UNK-3f402c2b-20
0.372
MAK-UNK-ec98eaf6-43
0.357
MAR-TRE-6a44bbf2-65
0.349
TAT-ENA-80bfd3e5-43
0.349
MAK-UNK-7c9d1431-11
0.349
LON-WEI-120e5cf5-10
0.341
DAN-MCD-0742953f-1
0.340
MAK-UNK-df1a028e-5
0.333
MAK-UNK-90d0606b-1
0.333
MAK-UNK-10799360-34
0.323
MAK-UNK-ec98eaf6-36
0.323
LON-WEI-4d77710c-6
0.322
LON-WEI-5e7d1b3e-6
0.322
MAK-UNK-ec98eaf6-38
0.322
MAK-UNK-3f402c2b-12
0.318
MAK-UNK-ec98eaf6-48
0.316
MAK-UNK-3f402c2b-3
0.314
MAK-UNK-3f402c2b-29
0.310
MAK-UNK-ec98eaf6-37
0.309
MAK-UNK-ec98eaf6-13
0.307
MAK-UNK-3f402c2b-4
0.305
LON-WEI-120e5cf5-15
0.305
MAK-UNK-3f402c2b-7
0.305
MAR-TRE-6a44bbf2-86
0.305
MAK-UNK-3f402c2b-2
0.303
WEI-UNI-64684f14-1
0.302
DAN-LON-a5fc619e-8
0.302
MAK-UNK-ec98eaf6-3
0.301
MAK-UNK-10799360-32
0.300
MAK-UNK-3e0761f8-4
0.299
LON-WEI-120e5cf5-2
0.299
MAK-UNK-ec98eaf6-9
0.298
MAK-UNK-3f402c2b-27
0.298
MAK-UNK-ec98eaf6-10
0.296
MAK-UNK-ec98eaf6-35
0.296
MAK-UNK-ec98eaf6-21
0.296
MAK-UNK-10799360-7
0.294
MAK-UNK-3e0761f8-6
0.293
MAR-TRE-6a44bbf2-78
0.293
MAK-UNK-7c9d1431-13
0.293
MAK-UNK-10799360-36
0.292
MAK-UNK-3f402c2b-11
0.292
MAK-UNK-ec98eaf6-17
0.292
MAK-UNK-ec98eaf6-33
0.291
MAK-UNK-ec98eaf6-4
0.289
MAK-UNK-df1a028e-4
0.289
MAK-UNK-10799360-2
0.289
MAK-UNK-ec98eaf6-1
0.289
AHN-SAT-de2502ba-7
0.287
MAK-UNK-3f402c2b-9
0.287
MAK-UNK-3e0761f8-7
0.287
LON-WEI-120e5cf5-20
0.286
MAK-UNK-3f402c2b-17
0.286
MAK-UNK-3f402c2b-25
0.286
MAK-UNK-5d2caa6f-11
0.286
MAK-UNK-ec98eaf6-6
0.284
MAK-UNK-ec98eaf6-20
0.284
AAR-POS-d2a4d1df-38
0.284
LON-WEI-120e5cf5-11
0.284
MAK-UNK-3f402c2b-6
0.284
MAK-UNK-df1a028e-9
0.282
MAK-UNK-bae89c02-2
0.282
WEI-UNI-64684f14-4
0.281
MAK-UNK-df1a028e-7
0.281
MAK-UNK-ec98eaf6-34
0.280
MAK-UNK-ec98eaf6-14
0.280
MAK-UNK-3f402c2b-13
0.280
MAK-UNK-3f402c2b-22
0.279
PEI-IMP-e4a008a2-1
0.279
MAK-UNK-3f402c2b-15
0.279
NIM-UNI-43fe0159-7
0.279
MAK-UNK-10799360-11
0.279
MAK-UNK-10799360-19
0.279
MAK-UNK-5d2caa6f-3
0.278