Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2ccc(CC3CC4CC3CN4C(=O)CCl)cc2c1 |
MW: | 392.1 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.47 |
cLogP: | 2.51 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-36
0.553
NIR-THE-0d6461ce-4
0.549
MAK-UNK-ec98eaf6-38
0.463
MAK-UNK-90d0606b-6
0.452
MAK-UNK-10799360-11
0.438
MAK-UNK-10799360-17
0.415
NIR-THE-0d6461ce-5
0.396
JAN-GHE-1d98ec1c-1
0.395
PET-SGC-85e821e4-1
0.390
NIR-THE-c331be7a-5
0.388
TAM-UNI-d1c3dd9f-3
0.388
MIH-UNI-e573136b-12
0.388
MAK-UNK-10799360-7
0.384
MAK-UNK-10799360-9
0.382
MAK-UNK-3e0761f8-6
0.371
MAK-UNK-ec98eaf6-48
0.368
SEL-UNI-cd366922-7
0.367
MAK-UNK-bae89c02-3
0.365
MIH-UNI-6b9ca91a-9
0.362
MAK-UNK-ec98eaf6-37
0.361
NIM-UNI-b87c0f72-3
0.358
NIM-UNI-b87c0f72-4
0.358
DAR-DIA-3e9bbd81-10
0.354
DAR-DIA-3e9bbd81-9
0.340
MAK-UNK-ec98eaf6-33
0.340
TAM-UNI-d1c3dd9f-6
0.337
SAD-SAT-581007d4-10
0.333
MAK-UNK-3f402c2b-19
0.333
MAK-UNK-df1a028e-5
0.330
MAK-UNK-3e0761f8-8
0.326
MAK-UNK-3f402c2b-28
0.321
MAK-UNK-10799360-29
0.321
MAK-UNK-90d0606b-2
0.319
MAK-UNK-ec98eaf6-32
0.312
MAK-UNK-5d2caa6f-20
0.311
MAK-UNK-5d2caa6f-21
0.309
MAK-UNK-5d2caa6f-16
0.308
MAK-UNK-ec98eaf6-43
0.308
SIM-DEM-5935bd74-4
0.307
PEI-IMP-e4a008a2-1
0.307
MAK-UNK-10799360-30
0.306
MAK-UNK-3f402c2b-5
0.303
MAR-TRE-6a44bbf2-33
0.302
SAD-SAT-5b1897b2-7
0.302
MAK-UNK-3e0761f8-1
0.301
MAK-UNK-3f402c2b-2
0.301
MAK-UNK-3f402c2b-18
0.300
SIM-DEM-5935bd74-2
0.299
MAK-UNK-10799360-15
0.297
MAK-UNK-90d0606b-8
0.296
MAK-UNK-3e0761f8-5
0.296
MAK-UNK-5d2caa6f-19
0.295
MAK-UNK-5d2caa6f-1
0.295
MAK-UNK-3e0761f8-3
0.292
MAK-UNK-3f402c2b-15
0.292
MAK-UNK-5d2caa6f-13
0.291
MAK-UNK-5d2caa6f-15
0.291
MAK-UNK-69bf97dd-4
0.291
MAK-UNK-90d0606b-3
0.289
DAR-DIA-3e9bbd81-4
0.288
MAK-UNK-3f402c2b-20
0.287
MAK-UNK-3f402c2b-12
0.287
NIM-UNI-363644a0-1
0.287
DAR-DIA-caba39e3-10
0.286
MIH-UNI-e573136b-4
0.286
MAK-UNK-3e0761f8-4
0.284
SAD-SAT-f25ee457-8
0.284
MAK-UNK-3f402c2b-17
0.284
MAK-UNK-df1a028e-8
0.284
MAK-UNK-90d0606b-9
0.283
MAK-UNK-5d2caa6f-17
0.282
MAK-UNK-10799360-34
0.282
DAR-DIA-fb20be43-12
0.280
DAR-DIA-fb20be43-9
0.280
MAK-UNK-90d0606b-10
0.280
DRR-IMP-dff87f5e-2
0.280
MAK-UNK-7c9d1431-3
0.280
MAK-UNK-5d2caa6f-22
0.279
MAK-UNK-10799360-16
0.279
AMI-CSI-2ea5bed6-10
0.278
DAR-DIA-3e9bbd81-8
0.278
MAK-UNK-3f402c2b-22
0.278
MAK-UNK-10799360-36
0.277
MAC-MCD-4707377b-1
0.277
MAK-UNK-df1a028e-1
0.277
MAK-UNK-bae89c02-4
0.276
MAK-UNK-10799360-5
0.275
MAK-UNK-ec98eaf6-4
0.274
MAK-UNK-3f402c2b-7
0.273
DAN-LON-a5fc619e-8
0.272
MAK-UNK-3f402c2b-9
0.272
MAK-UNK-df1a028e-6
0.272
MAK-UNK-10799360-35
0.271
MAK-UNK-10799360-14
0.269
MAK-UNK-3f402c2b-3
0.269
MAK-UNK-3f402c2b-1
0.269
MAK-UNK-3f402c2b-24
0.269
MAK-UNK-ec98eaf6-34
0.268
SAD-SAT-c989feaa-9
0.267
MAK-UNK-3f402c2b-27
0.267