Molecular Properties | |
SMILES: | COCCN1C[C@H](C(=O)Nc2ccc(N)nc2)CC1=O |
MW: | 278.14 |
Fraction sp3: | 0.46 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.55 |
cLogP: | 0.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-7f7bb9f0-86
0.697
MAR-TRE-9c797165-77
0.627
MAR-TRE-4b834d9a-58
0.627
MAR-TRE-7f7bb9f0-21
0.571
MAR-TRE-9c797165-44
0.472
MAR-TRE-7f7bb9f0-13
0.466
MAR-TRE-67513f76-75
0.438
MAR-TRE-b77b7921-72
0.411
MAR-TRE-2fd8122f-74
0.411
MAR-TRE-3e4e6814-58
0.398
MAR-TRE-74c6519b-29
0.393
MAR-TRE-3e4e6814-96
0.393
MAR-TRE-9c797165-4
0.390
MAR-TRE-2fd8122f-64
0.385
MAR-TRE-9c797165-84
0.383
MAR-TRE-67513f76-99
0.380
MAR-TRE-74c6519b-50
0.375
MAR-TRE-4b834d9a-65
0.374
MAR-TRE-2fd8122f-42
0.371
MAR-TRE-67513f76-31
0.371
MAR-TRE-6c5ef77a-42
0.368
MAR-TRE-f6f5f473-14
0.363
MAR-TRE-0fda4e82-16
0.356
MAR-TRE-7f7bb9f0-45
0.353
MAR-TRE-7f7bb9f0-14
0.352
MAR-TRE-67513f76-47
0.349
MAR-TRE-67513f76-3
0.349
MAR-TRE-d0525fbf-82
0.348
MAR-TRE-9c797165-2
0.345
MAR-TRE-67513f76-14
0.345
MAR-TRE-f6f5f473-77
0.344
MAR-TRE-3e4e6814-39
0.341
MAR-TRE-7f7bb9f0-11
0.341
MAR-TRE-3e4e6814-23
0.341
MAR-TRE-7f7bb9f0-20
0.337
MAR-TRE-9c797165-70
0.333
MAR-TRE-7f7bb9f0-18
0.333
MAR-TRE-3e4e6814-87
0.333
KEI-TRE-d5e2018a-15
0.333
KEI-TRE-d5e2018a-49
0.333
AAR-POS-f650c5f2-4
0.333
AAR-POS-5507155c-2
0.333
LON-WEI-120e5cf5-17
0.333
LON-WEI-120e5cf5-1
0.333
MAR-TRE-04c86cea-44
0.330
MAR-TRE-74c6519b-24
0.330
MAR-TRE-f6f5f473-8
0.323
MAR-TRE-f6f5f473-9
0.323
MAR-TRE-f6f5f473-74
0.319
MAR-TRE-f6f5f473-73
0.319
MAR-TRE-74c6519b-46
0.318
MAR-TRE-74c6519b-53
0.318
MAR-TRE-4b834d9a-89
0.318
MAR-TRE-f6f5f473-28
0.318
MAR-TRE-e82e6c98-22
0.318
MAR-TRE-74c6519b-48
0.316
MAR-TRE-f6f5f473-69
0.312
MAR-TRE-b77b7921-63
0.311
MAR-TRE-74c6519b-12
0.309
MAR-TRE-04c86cea-62
0.309
MAR-TRE-f6f5f473-56
0.307
MAR-TRE-04c86cea-84
0.306
MAR-TRE-67513f76-44
0.302
MAR-TRE-f6f5f473-81
0.302
MAR-TRE-67513f76-35
0.302
MAR-TRE-f6f5f473-91
0.301
KEI-TRE-d5e2018a-97
0.299
MAR-TRE-d0525fbf-50
0.294
MAR-TRE-7f7bb9f0-63
0.293
MAR-TRE-4b834d9a-56
0.293
MAR-TRE-d0525fbf-53
0.291
MAR-TRE-9c797165-33
0.290
MAR-TRE-7f7bb9f0-27
0.290
MAR-TRE-2fd8122f-92
0.290
KEI-TRE-d5e2018a-30
0.290
MAR-TRE-67513f76-74
0.289
MAR-TRE-7f7bb9f0-99
0.289
MAR-TRE-7f7bb9f0-47
0.289
MAR-TRE-74c6519b-52
0.289
MAR-TRE-d0525fbf-30
0.286
MAK-UNK-90d0606b-10
0.284
KEI-TRE-d5e2018a-94
0.283
MAR-TRE-f6f5f473-90
0.281
MAR-TRE-f6f5f473-97
0.281
MAR-TRE-f6f5f473-87
0.278
MAR-TRE-e82e6c98-96
0.278
MAR-TRE-04c86cea-48
0.276
EDG-MED-90036822-7
0.276
MAR-TRE-04c86cea-78
0.274
MAR-TRE-2fd8122f-27
0.272
MAR-TRE-9c797165-79
0.271
MAR-TRE-7f7bb9f0-26
0.268
MAR-TRE-f6f5f473-39
0.266
MAR-TRE-04c86cea-38
0.263
MAR-TRE-d0525fbf-87
0.260
MAR-TRE-04c86cea-85
0.258
MAR-TRE-d0525fbf-63
0.258
MAR-TRE-04c86cea-19
0.258
MAR-TRE-2fd8122f-50
0.258
MAR-TRE-4b834d9a-48
0.256