Molecular Properties | |
SMILES: | COC(C)C(N)c1cccc(N2CCCC2=O)c1 |
MW: | 248.15 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 55.56 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-34
0.719
MAK-UNK-c8c8f7e2-31
0.667
MAK-UNK-c8c8f7e2-33
0.581
MAK-UNK-c8c8f7e2-6
0.507
MAK-UNK-c8c8f7e2-7
0.493
MAR-TRE-799db12b-49
0.438
MAK-UNK-c8c8f7e2-1
0.433
MAK-UNK-6435e6c2-4
0.418
MAK-UNK-c8c8f7e2-20
0.412
MAK-UNK-7a704a63-8
0.412
MAK-UNK-c8c8f7e2-15
0.412
MAK-UNK-10dfa458-22
0.408
MAK-UNK-c8c8f7e2-2
0.406
MAK-UNK-c8c8f7e2-4
0.406
MAK-UNK-c8c8f7e2-3
0.406
MAK-UNK-7a704a63-11
0.406
MAK-UNK-c8c8f7e2-16
0.394
MAK-UNK-7a704a63-9
0.389
MAK-UNK-c8c8f7e2-17
0.378
MAK-UNK-c8c8f7e2-5
0.378
MAK-UNK-c8c8f7e2-8
0.378
LON-WEI-8f408cad-1
0.370
AAR-POS-0daf6b7e-11
0.370
MAK-UNK-7a704a63-10
0.370
MAK-UNK-10dfa458-3
0.370
MAK-UNK-9159f8ed-3
0.357
MAK-UNK-7a704a63-23
0.356
MAK-UNK-c8c8f7e2-18
0.355
MAK-UNK-7a704a63-24
0.351
MAK-UNK-c8c8f7e2-41
0.347
MAK-UNK-7a704a63-18
0.347
MAK-UNK-c8c8f7e2-12
0.342
MAK-UNK-7a704a63-7
0.342
MAR-TRE-67513f76-4
0.342
MAK-UNK-902cc841-4
0.341
MAK-UNK-9159f8ed-2
0.330
MAK-UNK-9159f8ed-7
0.330
MAK-UNK-c8c8f7e2-11
0.329
MAK-UNK-7a704a63-6
0.329
MAK-UNK-1e8f9e3c-2
0.326
AAR-UNI-c25c2f1e-103
0.323
MAK-UNK-902cc841-3
0.322
MAK-UNK-9159f8ed-6
0.322
MAK-UNK-1e8f9e3c-1
0.322
MAK-UNK-9159f8ed-1
0.319
MAK-UNK-1e8f9e3c-6
0.318
MAK-UNK-9159f8ed-4
0.316
MAK-UNK-9159f8ed-5
0.315
MAR-TRE-799db12b-69
0.314
MAR-TRE-2fd8122f-39
0.314
MAK-UNK-1e8f9e3c-3
0.310
MAK-UNK-1e8f9e3c-5
0.310
BEN-VAN-5787f7d3-10
0.308
AAR-UNI-c25c2f1e-61
0.308
BEN-VAN-5787f7d3-1
0.304
DOU-UNK-b5326f8f-9
0.302
BEN-VAN-5787f7d3-12
0.302
BEN-VAN-5787f7d3-11
0.301
MAK-UNK-10dfa458-23
0.301
MAK-UNK-1e8f9e3c-4
0.297
MAK-UNK-10dfa458-25
0.293
BAR-COM-0f94fc3d-53
0.290
MAK-UNK-10dfa458-32
0.290
DAV-CRI-8c8dd668-1
0.289
MAK-UNK-7a704a63-21
0.286
MAK-UNK-c8c8f7e2-37
0.286
MAK-UNK-c8c8f7e2-40
0.280
MAK-UNK-c8c8f7e2-30
0.280
MAK-UNK-7a704a63-20
0.280
MAK-UNK-7a704a63-17
0.280
COM-UCB-1ef4e90e-23
0.280
MAR-TRE-7f7bb9f0-54
0.274
MAR-TRE-799db12b-36
0.267
MAK-UNK-7a704a63-22
0.266
DAR-DIA-5a24bef0-14
0.264
DAR-DIA-5a24bef0-15
0.264
DAR-DIA-5a24bef0-16
0.264
MAR-TRE-9d18ae8c-65
0.264
MAK-UNK-7a704a63-19
0.263
MAK-UNK-c8c8f7e2-36
0.263
MAK-UNK-7a704a63-4
0.260
MAK-UNK-c8c8f7e2-9
0.260
MAR-TRE-7f7bb9f0-31
0.256
MAK-UNK-c8c8f7e2-38
0.253
MAR-TRE-799db12b-45
0.250
MAK-UNK-c8c8f7e2-10
0.247
MAK-UNK-7a704a63-2
0.247
MAK-UNK-7a704a63-5
0.247
MAK-UNK-c8c8f7e2-14
0.247
MAK-UNK-7a704a63-16
0.244
MAK-UNK-c8c8f7e2-39
0.244
DAR-DIA-5a24bef0-11
0.242
MAK-UNK-c8c8f7e2-42
0.241
DAR-DIA-5a24bef0-17
0.237
DOU-UNK-b5326f8f-7
0.236
BEN-VAN-5787f7d3-7
0.229
MAK-UNK-c8c8f7e2-13
0.228
MAK-UNK-c8c8f7e2-43
0.228
MAK-UNK-7a704a63-3
0.228
PET-UNK-5eca9d1d-3
0.227