Molecular Properties | |
SMILES: | COc1cc(NC(C)=O)cc(N2CCCC2=O)c1 |
MW: | 248.12 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 58.64 |
cLogP: | 1.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-40
0.603
MAK-UNK-7a704a63-20
0.603
MAK-UNK-7a704a63-17
0.603
MAK-UNK-6435e6c2-4
0.508
MAK-UNK-7a704a63-24
0.470
MAK-UNK-7a704a63-6
0.469
MAK-UNK-c8c8f7e2-11
0.469
MAK-UNK-7a704a63-22
0.448
MAK-UNK-c8c8f7e2-1
0.431
MAK-UNK-7a704a63-8
0.431
MAK-UNK-c8c8f7e2-15
0.431
MAK-UNK-7a704a63-18
0.424
MAK-UNK-c8c8f7e2-41
0.424
MAK-UNK-7a704a63-7
0.418
MAK-UNK-c8c8f7e2-12
0.418
MAK-UNK-c8c8f7e2-16
0.412
MAK-UNK-c8c8f7e2-10
0.409
MAK-UNK-7a704a63-5
0.409
MAK-UNK-7a704a63-9
0.406
MAK-UNK-7a704a63-16
0.403
MAK-UNK-c8c8f7e2-39
0.403
MAK-UNK-c8c8f7e2-17
0.394
MAK-UNK-7a704a63-21
0.391
MAK-UNK-c8c8f7e2-37
0.391
MAK-UNK-c8c8f7e2-20
0.388
MAK-UNK-7a704a63-10
0.386
AAR-POS-0daf6b7e-11
0.386
LON-WEI-8f408cad-1
0.386
MAK-UNK-10dfa458-3
0.386
MAK-UNK-10dfa458-22
0.386
MAK-UNK-9159f8ed-3
0.370
MAK-UNK-c8c8f7e2-18
0.370
MAK-UNK-c8c8f7e2-30
0.368
MAK-UNK-7a704a63-11
0.362
MAK-UNK-c8c8f7e2-3
0.362
MAK-UNK-c8c8f7e2-4
0.362
MAK-UNK-c8c8f7e2-2
0.362
MAK-UNK-c8c8f7e2-6
0.361
MAK-UNK-c8c8f7e2-34
0.357
MAR-TRE-67513f76-4
0.356
MAK-UNK-c8c8f7e2-32
0.356
MAK-UNK-c8c8f7e2-38
0.352
MAK-UNK-c8c8f7e2-14
0.348
MAK-UNK-7a704a63-2
0.348
MAK-UNK-7a704a63-19
0.348
MAK-UNK-c8c8f7e2-36
0.348
MAK-UNK-c8c8f7e2-31
0.347
MAK-UNK-1e8f9e3c-6
0.345
MAK-UNK-7a704a63-4
0.343
MAK-UNK-c8c8f7e2-9
0.343
MAK-UNK-9159f8ed-7
0.341
MAK-UNK-9159f8ed-2
0.341
MAK-UNK-c8c8f7e2-5
0.338
MAK-UNK-c8c8f7e2-7
0.333
MAR-TRE-7f7bb9f0-54
0.333
MAK-UNK-9159f8ed-6
0.333
MAK-UNK-1e8f9e3c-1
0.333
MAK-UNK-902cc841-3
0.333
MAK-UNK-9159f8ed-1
0.330
MAK-UNK-9159f8ed-4
0.326
MAK-UNK-9159f8ed-5
0.326
MAR-TRE-2fd8122f-39
0.325
MAK-UNK-902cc841-4
0.322
MAK-UNK-1e8f9e3c-2
0.322
MAK-UNK-1e8f9e3c-3
0.321
MAK-UNK-1e8f9e3c-5
0.321
MAK-UNK-c8c8f7e2-8
0.320
MAK-UNK-c8c8f7e2-44
0.319
MAK-UNK-c8c8f7e2-33
0.319
MAR-TRE-7f7bb9f0-21
0.313
MAK-UNK-10dfa458-23
0.311
MAT-POS-b5746674-56
0.310
MAR-TRE-799db12b-69
0.310
MAR-TRE-7f7bb9f0-31
0.310
MAK-UNK-1e8f9e3c-4
0.307
MAK-UNK-c8c8f7e2-13
0.306
MAK-UNK-c8c8f7e2-43
0.306
MAK-UNK-7a704a63-3
0.306
AAR-UNI-c25c2f1e-61
0.303
MAK-UNK-10dfa458-25
0.303
MAR-TRE-799db12b-49
0.302
MAK-UNK-c8c8f7e2-42
0.301
MAK-UNK-10dfa458-32
0.299
MAK-UNK-7a704a63-1
0.296
MAR-TRE-2fd8122f-42
0.294
MAK-UNK-c8c8f7e2-28
0.289
MAK-UNK-7a704a63-14
0.289
MAK-UNK-c8c8f7e2-29
0.289
MAK-UNK-7a704a63-12
0.274
MAK-UNK-c8c8f7e2-26
0.274
MAK-UNK-7a704a63-13
0.274
MAR-TRE-c317dd82-14
0.274
JOH-MEM-5e386bbd-4
0.273
BAR-COM-0f94fc3d-53
0.272
DOU-UNK-b5326f8f-9
0.271
MAK-UNK-c8c8f7e2-25
0.269
MAK-UNK-c8c8f7e2-21
0.267
AAR-UNI-c25c2f1e-103
0.263
MAK-UNK-c8c8f7e2-19
0.260
BEN-VAN-5787f7d3-7
0.260