Molecular Properties | |
SMILES: | CNCC1=CC(CNc2ccc(C#N)cn2)(S(=O)(=O)c2cccnc2)C(c2ccccc2F)=C1 |
MW: | 475.549 |
Fraction sp3: | 0.16 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 107.77 |
cLogP: | 3.35498 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-12
0.474
MAK-UNK-148caf23-11
0.474
MAK-UNK-148caf23-14
0.466
MAK-UNK-148caf23-10
0.442
MAK-UNK-148caf23-8
0.442
MAK-UNK-de9577cf-14
0.437
MAK-UNK-148caf23-9
0.433
MAK-UNK-8fdbca50-4
0.419
MAK-UNK-9a6be56d-11
0.417
MAK-UNK-148caf23-7
0.411
MAK-UNK-148caf23-22
0.402
MAK-UNK-148caf23-23
0.402
MAK-UNK-8fdbca50-19
0.395
MAK-UNK-148caf23-20
0.395
MAK-UNK-148caf23-15
0.393
MAK-UNK-148caf23-16
0.390
MAK-UNK-148caf23-19
0.387
MAK-UNK-148caf23-21
0.387
MAK-UNK-148caf23-18
0.382
MAK-UNK-148caf23-6
0.373
MAK-UNK-148caf23-17
0.371
MAK-UNK-148caf23-1
0.359
MAK-UNK-148caf23-5
0.354
MAK-UNK-148caf23-4
0.352
MAK-UNK-0955449e-29
0.349
MAK-UNK-148caf23-2
0.336
MAK-UNK-148caf23-3
0.331
MAK-UNK-30aad1f1-1
0.330
MAK-UNK-0955449e-30
0.320
MAK-UNK-30aad1f1-7
0.319
MAK-UNK-0955449e-31
0.315
MAK-UNK-de9577cf-15
0.312
MAK-UNK-9a6be56d-12
0.309
MAK-UNK-30aad1f1-4
0.299
MAK-UNK-de9577cf-13
0.298
MAK-UNK-30aad1f1-6
0.297
JAN-GHE-bf40f168-3
0.295
WAR-XCH-b0339bbe-16
0.295
MAK-UNK-9a6be56d-14
0.293
MAK-UNK-9a6be56d-10
0.290
JAN-GHE-bf40f168-7
0.288
MAK-UNK-9a6be56d-5
0.286
AAR-POS-d2a4d1df-5
0.286
JAN-GHE-bf40f168-1
0.285
MAK-UNK-9a6be56d-26
0.282
MAK-UNK-de9577cf-22
0.281
MAK-UNK-30aad1f1-14
0.281
MAK-UNK-8fdbca50-20
0.280
MAK-UNK-30aad1f1-12
0.277
MAK-UNK-9a6be56d-27
0.277
MAK-UNK-9a6be56d-32
0.277
MAK-UNK-702fb7d3-21
0.276
JAN-GHE-bf40f168-8
0.274
MAK-UNK-9a6be56d-25
0.274
MAK-UNK-8fdbca50-5
0.274
MAK-UNK-702fb7d3-3
0.272
MAK-UNK-0955449e-3
0.270
MAK-UNK-30aad1f1-3
0.270
MAK-UNK-8fdbca50-34
0.265
MAK-UNK-9a6be56d-28
0.264
MAK-UNK-702fb7d3-2
0.264
MAK-UNK-8fdbca50-33
0.262
MAK-UNK-de9577cf-2
0.262
MAK-UNK-702fb7d3-12
0.260
JAN-GHE-bf40f168-4
0.260
MAK-UNK-de9577cf-1
0.259
MAK-UNK-9a6be56d-1
0.259
MAK-UNK-8fdbca50-18
0.259
MAK-UNK-8fdbca50-40
0.259
MAK-UNK-30aad1f1-2
0.259
AGN-NEW-891393a6-8
0.259
MAK-UNK-702fb7d3-20
0.259
JAN-GHE-bf40f168-6
0.258
MAK-UNK-51bb34f9-1
0.257
MAK-UNK-de9577cf-10
0.257
MAK-UNK-9a6be56d-30
0.257
MAK-UNK-9a6be56d-29
0.257
MAK-UNK-8fdbca50-1
0.257
MAK-UNK-702fb7d3-6
0.257
MAK-UNK-30aad1f1-8
0.256
MAK-UNK-8fdbca50-38
0.255
MAK-UNK-702fb7d3-1
0.255
MAK-UNK-702fb7d3-13
0.255
MAK-UNK-9a6be56d-3
0.254
MAK-UNK-8fdbca50-39
0.253
MAK-UNK-8fdbca50-32
0.253
MAK-UNK-8fdbca50-41
0.253
MAK-UNK-702fb7d3-14
0.253
MAK-UNK-de9577cf-11
0.252
MAK-UNK-8fdbca50-16
0.252
MAK-UNK-702fb7d3-11
0.252
MAK-UNK-de9577cf-3
0.250
MAK-UNK-702fb7d3-10
0.248
MAK-UNK-9a6be56d-15
0.248
MAK-UNK-9a6be56d-31
0.248
MAK-UNK-9a6be56d-4
0.248
MAK-UNK-8fdbca50-37
0.247
MAK-UNK-702fb7d3-9
0.247
MAK-UNK-8fdbca50-36
0.247
MAK-UNK-af83ef51-25
0.246