Molecular Properties | |
SMILES: | CNCC1=CC(C(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)(S(=O)(=O)c2cccnc2)C(c2ccccc2F)=C1 |
MW: | 589.133 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 99.68 |
cLogP: | 3.3005 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-19
0.650
MAK-UNK-8fdbca50-5
0.531
MAK-UNK-8fdbca50-3
0.508
MAK-UNK-8fdbca50-1
0.508
MAK-UNK-8fdbca50-2
0.504
MAK-UNK-8fdbca50-20
0.485
MAK-UNK-8fdbca50-18
0.473
MAK-UNK-8fdbca50-7
0.463
MAK-UNK-8fdbca50-14
0.463
MAK-UNK-8fdbca50-17
0.462
MAK-UNK-8fdbca50-16
0.459
MAK-UNK-8fdbca50-13
0.456
MAK-UNK-8fdbca50-6
0.453
MAK-UNK-8fdbca50-32
0.452
MAK-UNK-8fdbca50-39
0.452
MAK-UNK-8fdbca50-41
0.452
MAK-UNK-8fdbca50-12
0.449
MAK-UNK-8fdbca50-9
0.448
MAK-UNK-8fdbca50-28
0.448
MAK-UNK-8fdbca50-30
0.444
MAK-UNK-8fdbca50-11
0.442
MAK-UNK-8fdbca50-15
0.439
MAK-UNK-8fdbca50-8
0.438
MAK-UNK-8fdbca50-27
0.437
MAK-UNK-8fdbca50-10
0.435
MAK-UNK-8fdbca50-34
0.432
MAK-UNK-8fdbca50-40
0.430
MAK-UNK-8fdbca50-22
0.430
MAK-UNK-8fdbca50-21
0.423
MAK-UNK-8fdbca50-33
0.420
MAK-UNK-148caf23-13
0.419
MAK-UNK-8fdbca50-37
0.418
MAK-UNK-8fdbca50-23
0.415
MAK-UNK-8fdbca50-24
0.414
MAK-UNK-8fdbca50-26
0.410
MAK-UNK-8fdbca50-31
0.410
MAK-UNK-de9577cf-14
0.405
MAK-UNK-8fdbca50-25
0.403
MAK-UNK-8fdbca50-36
0.399
MAK-UNK-8fdbca50-38
0.393
MAK-UNK-8fdbca50-35
0.387
MAK-UNK-9a6be56d-11
0.379
SAD-SAT-29425be4-27
0.344
VIR-GIT-7b3d3065-3
0.343
AAR-POS-0daf6b7e-19
0.343
LON-WEI-120e5cf5-11
0.339
MAK-UNK-702fb7d3-13
0.331
LON-WEI-120e5cf5-5
0.330
MAK-UNK-702fb7d3-12
0.329
MAK-UNK-702fb7d3-6
0.327
NIM-UNI-310206f0-27
0.326
THO-SYG-f9b2970d-6
0.320
THO-SYG-f9b2970d-8
0.320
MAK-UNK-702fb7d3-11
0.320
MAK-UNK-702fb7d3-8
0.318
MAK-UNK-702fb7d3-9
0.316
MAK-UNK-702fb7d3-14
0.314
THO-SYG-f9b2970d-5
0.313
MAK-UNK-702fb7d3-5
0.313
MAK-UNK-702fb7d3-10
0.308
THO-SYG-f9b2970d-7
0.308
PEI-IMP-ca0b2813-1
0.306
NIM-UNI-310206f0-28
0.303
YOI-UNK-a533afbc-6
0.303
YOI-UNK-12211982-6
0.303
MAK-UNK-de9577cf-15
0.302
MAK-UNK-0955449e-29
0.301
MAK-UNK-148caf23-12
0.296
MAK-UNK-0955449e-31
0.296
MAK-UNK-702fb7d3-21
0.294
MAK-UNK-702fb7d3-17
0.294
SAD-SAT-9a6c5cf3-10
0.293
MAK-UNK-0955449e-3
0.292
MAK-UNK-702fb7d3-7
0.292
MAK-UNK-702fb7d3-4
0.292
MAK-UNK-de9577cf-2
0.292
MAK-UNK-148caf23-14
0.292
SAD-SAT-29425be4-16
0.291
MAK-UNK-702fb7d3-1
0.290
MAK-UNK-0955449e-4
0.290
MAK-UNK-0955449e-30
0.289
SAD-SAT-29425be4-22
0.287
MAK-UNK-9a6be56d-5
0.287
LON-WEI-120e5cf5-21
0.286
MAK-UNK-702fb7d3-19
0.286
MAK-UNK-9a6be56d-14
0.285
PEI-IMP-ca0b2813-4
0.285
MAK-UNK-148caf23-11
0.284
MAC-MCD-76766525-1
0.283
MAK-UNK-de9577cf-22
0.283
MAK-UNK-702fb7d3-18
0.282
MAK-UNK-702fb7d3-2
0.282
MAK-UNK-702fb7d3-3
0.282
MAK-UNK-de9577cf-11
0.282
BEN-DND-76ad4ac9-4
0.281
MAK-UNK-de9577cf-3
0.281
MAK-UNK-de9577cf-13
0.280
MAK-UNK-148caf23-7
0.279
SAD-SAT-89668ff1-3
0.278
MAK-UNK-702fb7d3-20
0.277