Molecular Properties | |
SMILES: | Cc1ccnc(NC(=O)C2CC3CC2CN3C(=O)CCl)c1 |
MW: | 307.11 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 1.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-90d0606b-9
0.584
MAK-UNK-5d2caa6f-1
0.573
MAK-UNK-5d2caa6f-20
0.548
MAK-UNK-3f402c2b-19
0.533
LON-WEI-120e5cf5-13
0.533
MAK-UNK-5d2caa6f-21
0.532
MAK-UNK-3e0761f8-1
0.526
MAK-UNK-90d0606b-8
0.525
MAK-UNK-5d2caa6f-22
0.524
MAK-UNK-5d2caa6f-16
0.520
MAK-UNK-90d0606b-10
0.519
MAK-UNK-90d0606b-2
0.506
MAK-UNK-5d2caa6f-13
0.488
MAK-UNK-3e0761f8-3
0.483
MAK-UNK-5d2caa6f-19
0.472
MAK-UNK-5d2caa6f-14
0.462
MAK-UNK-5d2caa6f-17
0.460
MAK-UNK-5d2caa6f-15
0.455
MAK-UNK-3e0761f8-8
0.430
MAK-UNK-5d2caa6f-18
0.430
MAK-UNK-ec98eaf6-5
0.410
MAK-UNK-ec98eaf6-32
0.410
MAK-UNK-3f402c2b-28
0.395
MAK-UNK-df1a028e-5
0.381
MAK-UNK-3e0761f8-6
0.376
MAK-UNK-ec98eaf6-43
0.373
MAK-UNK-3f402c2b-20
0.372
MAK-UNK-10799360-34
0.366
MAK-UNK-10799360-24
0.361
MAK-UNK-ec98eaf6-38
0.353
MAK-UNK-3f402c2b-18
0.349
MAK-UNK-10799360-25
0.344
MAK-UNK-c97f7c8f-1
0.333
MAK-UNK-3f402c2b-3
0.329
MAK-UNK-ec98eaf6-36
0.323
MAK-UNK-ec98eaf6-37
0.323
ALV-UNI-7ff1a6f9-45
0.322
MAK-UNK-3f402c2b-12
0.318
MAK-UNK-3e0761f8-4
0.312
MAK-UNK-ec98eaf6-9
0.312
MAK-UNK-3e0761f8-7
0.311
MAK-UNK-5d2caa6f-11
0.311
MAK-UNK-10799360-7
0.307
MAK-UNK-90d0606b-1
0.305
MAK-UNK-3f402c2b-7
0.305
MAK-UNK-3f402c2b-4
0.305
MAK-UNK-10799360-11
0.304
LON-WEI-120e5cf5-21
0.303
MAK-UNK-df1a028e-6
0.302
MAK-UNK-ec98eaf6-1
0.302
MAK-UNK-10799360-5
0.302
MAK-UNK-ec98eaf6-48
0.302
MAK-UNK-90d0606b-6
0.300
MAK-UNK-3f402c2b-17
0.300
LON-WEI-120e5cf5-11
0.299
MAK-UNK-ec98eaf6-35
0.296
SAD-SAT-29425be4-20
0.293
MAK-UNK-ec98eaf6-33
0.291
MAK-UNK-3f402c2b-5
0.291
MAK-UNK-ec98eaf6-18
0.290
MAK-UNK-ec98eaf6-4
0.289
MAK-UNK-10799360-3
0.289
MIK-MCD-8542a490-1
0.287
MAK-UNK-df1a028e-8
0.286
MAK-UNK-ec98eaf6-20
0.284
SAD-SAT-c989feaa-8
0.284
SAD-SAT-5b1897b2-4
0.284
MAK-UNK-ec98eaf6-53
0.283
MAK-UNK-3f402c2b-27
0.282
THO-SYG-f9b2970d-2
0.281
MAK-UNK-c97f7c8f-2
0.281
MAK-UNK-df1a028e-7
0.281
FOC-CAS-e3a94da8-2
0.280
MAK-UNK-ec98eaf6-14
0.280
MAK-UNK-af83ef51-6
0.279
MAK-UNK-3f402c2b-22
0.279
MAK-UNK-ec98eaf6-13
0.278
LON-WEI-120e5cf5-7
0.277
NIR-THE-0d6461ce-1
0.276
NAU-LAT-f723e322-5
0.276
MAK-UNK-10799360-2
0.276
THO-SYG-f9b2970d-1
0.276
MAK-UNK-5d2caa6f-12
0.275
LON-WEI-120e5cf5-19
0.275
MAK-UNK-3f402c2b-2
0.275
MAK-UNK-ec98eaf6-50
0.275
MAK-UNK-3f402c2b-29
0.274
MAK-UNK-10799360-1
0.274
MAK-UNK-ec98eaf6-3
0.274
DAN-LON-a5fc619e-8
0.273
MAK-UNK-10799360-9
0.271
WAR-XCH-b0339bbe-3
0.271
MAK-UNK-3e0761f8-9
0.271
MAK-UNK-3f402c2b-25
0.271
MAK-UNK-ec98eaf6-2
0.270
THO-SYG-f9b2970d-6
0.269
MAK-UNK-bae89c02-2
0.269
MAK-UNK-ec98eaf6-34
0.269
MAK-UNK-ec98eaf6-45
0.268
MAK-UNK-df1a028e-9
0.267