Molecular Properties | |
SMILES: | CNCC1=CC(N2CCCc3ccc(S(N)(=O)=O)cc32)(S(=O)(=O)c2cccnc2)C(c2ccccc2F)=C1 |
MW: | 554.669 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 122.46 |
cLogP: | 3.0339 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-10
0.492
MAK-UNK-9a6be56d-12
0.480
MAK-UNK-de9577cf-14
0.472
MAK-UNK-9a6be56d-14
0.469
MAK-UNK-9a6be56d-1
0.450
MAK-UNK-9a6be56d-21
0.433
MAK-UNK-9a6be56d-9
0.432
MAK-UNK-9a6be56d-8
0.429
MAK-UNK-9a6be56d-23
0.418
MAK-UNK-148caf23-13
0.417
MAK-UNK-9a6be56d-15
0.415
MAK-UNK-9a6be56d-2
0.415
MAK-UNK-9a6be56d-24
0.414
MAK-UNK-9a6be56d-22
0.407
MAK-UNK-9a6be56d-16
0.404
MAK-UNK-9a6be56d-5
0.397
MAK-UNK-8fdbca50-19
0.397
MAK-UNK-9a6be56d-18
0.396
MAK-UNK-9a6be56d-31
0.394
MAK-UNK-9a6be56d-19
0.391
MAK-UNK-9a6be56d-25
0.390
MAK-UNK-9a6be56d-17
0.390
MAK-UNK-9a6be56d-32
0.387
MAK-UNK-8fdbca50-4
0.379
MAK-UNK-9a6be56d-30
0.374
MAK-UNK-9a6be56d-4
0.368
MAK-UNK-9a6be56d-27
0.367
MAK-UNK-9a6be56d-3
0.362
MAK-UNK-de9577cf-15
0.359
TAM-UNI-c140e31a-6
0.358
MAK-UNK-9a6be56d-6
0.358
MAK-UNK-9a6be56d-29
0.355
MAK-UNK-de9577cf-13
0.353
MAK-UNK-9a6be56d-28
0.352
MAK-UNK-9a6be56d-26
0.352
MAK-UNK-de9577cf-22
0.336
MAK-UNK-148caf23-12
0.331
MAK-UNK-0955449e-29
0.331
PET-SGC-59809fea-1
0.328
MAK-UNK-0955449e-31
0.321
MAK-UNK-148caf23-11
0.319
AAR-POS-d2a4d1df-4
0.317
MAK-UNK-0955449e-30
0.315
PET-SGC-05cff2e1-1
0.308
PET-SGC-c4a91520-1
0.306
NAU-LAT-42d4957e-4
0.305
MAK-UNK-0b1cbb06-3
0.303
MAK-UNK-de9577cf-6
0.302
MAK-UNK-de9577cf-10
0.302
MAK-UNK-0b1cbb06-4
0.302
MAK-UNK-702fb7d3-4
0.298
MAK-UNK-148caf23-14
0.298
MAK-UNK-148caf23-10
0.298
MAK-UNK-de9577cf-11
0.297
PET-SGC-fc67af9f-1
0.295
MAK-UNK-de9577cf-12
0.295
MAK-UNK-148caf23-2
0.294
DUN-NEW-f8ce3686-14
0.293
MAK-UNK-de9577cf-8
0.291
PET-SGC-abcbce68-1
0.291
MAK-UNK-702fb7d3-6
0.289
MAK-UNK-de9577cf-9
0.289
TAM-UNI-c140e31a-4
0.288
NAU-LAT-42d4957e-5
0.287
MAK-UNK-de9577cf-16
0.287
MAK-UNK-de9577cf-1
0.286
MAK-UNK-8fdbca50-40
0.284
MAK-UNK-de9577cf-5
0.284
MAK-UNK-de9577cf-7
0.284
MAK-UNK-702fb7d3-21
0.283
MAK-UNK-702fb7d3-20
0.283
MAK-UNK-de9577cf-19
0.283
MAK-UNK-de9577cf-17
0.282
MAK-UNK-148caf23-5
0.282
MAK-UNK-8fdbca50-5
0.281
MAK-UNK-de9577cf-4
0.281
MAK-UNK-0b1cbb06-2
0.280
MAK-UNK-148caf23-8
0.280
MAK-UNK-de9577cf-21
0.280
MAK-UNK-148caf23-4
0.280
MAK-UNK-702fb7d3-1
0.279
TAM-UNI-c140e31a-1
0.279
MAK-UNK-8fdbca50-20
0.278
MAK-UNK-148caf23-1
0.278
MAK-UNK-148caf23-7
0.276
TAM-UNI-c140e31a-12
0.276
MAK-UNK-de9577cf-20
0.275
JAR-IMP-ed466bb3-6
0.275
MAK-UNK-8fdbca50-18
0.275
MAK-UNK-702fb7d3-5
0.275
PET-SGC-f913cec9-1
0.275
MAK-UNK-702fb7d3-8
0.274
MAK-UNK-702fb7d3-7
0.273
MAK-UNK-702fb7d3-10
0.272
MAK-UNK-8fdbca50-38
0.272
PET-SGC-6a1b02a9-1
0.271
MAK-UNK-702fb7d3-2
0.271
MAK-UNK-702fb7d3-3
0.271
MAK-UNK-702fb7d3-9
0.271
MAK-UNK-148caf23-3
0.271