Molecular Properties | |
SMILES: | CC(=O)Nc1ccnc(N2CCCC2=O)c1 |
MW: | 219.1 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 1.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-10
1.000
MAK-UNK-6435e6c2-4
0.508
MAK-UNK-c8c8f7e2-39
0.468
MAK-UNK-7a704a63-16
0.468
MAK-UNK-7a704a63-7
0.460
MAK-UNK-c8c8f7e2-12
0.460
MAK-UNK-7a704a63-22
0.446
MAK-UNK-7a704a63-4
0.444
MAK-UNK-c8c8f7e2-9
0.444
MAK-UNK-7a704a63-6
0.422
MAK-UNK-c8c8f7e2-11
0.422
MAK-UNK-7a704a63-23
0.409
MAK-UNK-7a704a63-8
0.406
MAK-UNK-c8c8f7e2-30
0.406
MAK-UNK-7a704a63-17
0.406
MAK-UNK-7a704a63-20
0.406
MAK-UNK-c8c8f7e2-15
0.406
MAK-UNK-c8c8f7e2-40
0.406
MAK-UNK-c8c8f7e2-16
0.388
MAK-UNK-7a704a63-9
0.382
MAK-UNK-7a704a63-18
0.379
MAK-UNK-c8c8f7e2-41
0.379
MAK-UNK-c8c8f7e2-17
0.371
MAK-UNK-c8c8f7e2-18
0.366
MAK-UNK-c8c8f7e2-14
0.364
MAK-UNK-c8c8f7e2-36
0.364
MAK-UNK-7a704a63-2
0.364
MAK-UNK-7a704a63-19
0.364
MAK-UNK-10dfa458-3
0.362
MAK-UNK-7a704a63-10
0.362
MAK-UNK-7a704a63-24
0.362
MAK-UNK-10dfa458-22
0.362
LON-WEI-8f408cad-1
0.362
AAR-POS-0daf6b7e-11
0.362
MAK-UNK-c8c8f7e2-13
0.358
MAK-UNK-7a704a63-3
0.358
MAK-UNK-c8c8f7e2-38
0.348
MAK-UNK-7a704a63-21
0.348
MAK-UNK-c8c8f7e2-37
0.348
MAK-UNK-c8c8f7e2-43
0.338
MAK-UNK-c8c8f7e2-42
0.333
MAR-TRE-67513f76-4
0.333
MAK-UNK-902cc841-3
0.329
MAK-UNK-c8c8f7e2-1
0.324
MAK-UNK-c8c8f7e2-20
0.324
MAK-UNK-c8c8f7e2-3
0.319
MAK-UNK-7a704a63-11
0.319
MAK-UNK-c8c8f7e2-2
0.319
MAK-UNK-c8c8f7e2-4
0.319
MAK-UNK-c8c8f7e2-27
0.319
MAK-UNK-902cc841-4
0.318
MAK-UNK-1e8f9e3c-5
0.317
MAK-UNK-c8c8f7e2-44
0.314
MAK-UNK-c8c8f7e2-21
0.314
MAK-UNK-1e8f9e3c-1
0.313
MAK-UNK-9159f8ed-6
0.313
MAR-TRE-7f7bb9f0-54
0.312
MAK-UNK-7a704a63-1
0.309
MAK-UNK-c8c8f7e2-19
0.309
MAR-TRE-2fd8122f-39
0.305
MAR-TRE-7f7bb9f0-31
0.305
MAK-UNK-7a704a63-12
0.304
MAK-UNK-7a704a63-13
0.304
MAK-UNK-c8c8f7e2-26
0.304
MAK-UNK-1e8f9e3c-2
0.302
MAK-UNK-c8c8f7e2-6
0.301
MAK-UNK-c8c8f7e2-22
0.301
MAK-UNK-1e8f9e3c-3
0.301
AAR-UNI-c25c2f1e-61
0.299
MAK-UNK-c8c8f7e2-5
0.297
MAR-TRE-67513f76-74
0.296
BAR-COM-0f94fc3d-53
0.295
MAK-UNK-9159f8ed-4
0.293
BEN-DND-22e6b372-4
0.293
MAK-UNK-9159f8ed-5
0.292
MAK-UNK-9159f8ed-2
0.292
MAK-UNK-1e8f9e3c-4
0.287
MAK-UNK-10dfa458-25
0.284
MAK-UNK-7a704a63-14
0.284
MAK-UNK-c8c8f7e2-28
0.284
MAK-UNK-c8c8f7e2-29
0.284
MAK-UNK-c8c8f7e2-24
0.284
MAK-UNK-9159f8ed-1
0.283
AAR-UNI-c25c2f1e-93
0.282
MAK-UNK-c8c8f7e2-8
0.280
MAK-UNK-c8c8f7e2-25
0.280
MAK-UNK-7a704a63-15
0.280
MAK-UNK-c8c8f7e2-23
0.280
MAR-TRE-67513f76-35
0.279
BEN-VAN-5787f7d3-11
0.278
MAK-UNK-c8c8f7e2-34
0.278
MAK-UNK-c8c8f7e2-7
0.276
MAR-TRE-799db12b-69
0.274
MAK-UNK-9159f8ed-3
0.271
BAR-COM-4e090d3a-60
0.271
BAR-COM-4e090d3a-61
0.270
BEN-DND-22e6b372-3
0.269
MAK-UNK-10dfa458-32
0.268
MAR-TRE-799db12b-49
0.267
BEN-VAN-5787f7d3-12
0.266