Molecular Properties | |
SMILES: | Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(N)nc2)cc1 |
MW: | 311.16 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-f6f5f473-74
0.757
MAR-TRE-04c86cea-79
0.562
MAR-TRE-67513f76-75
0.421
MAR-TRE-74c6519b-29
0.396
MAR-TRE-f6f5f473-56
0.388
MAR-TRE-9c797165-84
0.386
MAR-TRE-b77b7921-72
0.383
MAR-TRE-9c797165-77
0.366
MAR-TRE-3e4e6814-96
0.364
MAR-TRE-9c797165-44
0.362
MAR-TRE-7f7bb9f0-86
0.353
MAR-TRE-f6f5f473-28
0.353
MAR-TRE-f6f5f473-14
0.352
MAR-TRE-67513f76-14
0.349
MAR-TRE-4b834d9a-65
0.347
MAR-TRE-9c797165-4
0.345
MAR-TRE-7f7bb9f0-11
0.344
MAR-TRE-3e4e6814-23
0.344
MAR-TRE-4b834d9a-89
0.337
MAR-TRE-3e4e6814-58
0.337
MAR-TRE-74c6519b-24
0.333
MAR-TRE-f6f5f473-77
0.333
MAR-TRE-7f7bb9f0-67
0.323
MAR-TRE-67513f76-3
0.322
MAR-TRE-67513f76-44
0.322
MAR-TRE-7f7bb9f0-21
0.319
MAR-TRE-74c6519b-50
0.319
MAR-TRE-67513f76-31
0.316
MAR-TRE-04c86cea-62
0.313
MAR-TRE-f6f5f473-90
0.312
MAR-TRE-f6f5f473-8
0.312
MAR-TRE-7f7bb9f0-14
0.312
MAR-TRE-d0525fbf-50
0.311
MAR-TRE-7f7bb9f0-47
0.308
MAR-TRE-7f7bb9f0-99
0.308
MAR-TRE-74c6519b-53
0.308
MAR-TRE-7f7bb9f0-13
0.307
MAR-TRE-04c86cea-44
0.306
MAR-TRE-74c6519b-48
0.306
MAR-TRE-9c797165-70
0.306
MAR-TRE-04c86cea-78
0.305
MAR-TRE-9c797165-2
0.303
MAR-TRE-b77b7921-63
0.301
MAR-TRE-2fd8122f-12
0.301
MAR-TRE-f6f5f473-97
0.300
AAR-POS-0daf6b7e-41
0.296
MAR-TRE-a9136c7b-96
0.295
MAR-TRE-74c6519b-46
0.293
MAR-TRE-3e4e6814-87
0.292
MAR-TRE-f6f5f473-91
0.292
MAR-TRE-d0525fbf-30
0.290
MAR-TRE-4b834d9a-58
0.290
MAR-TRE-f6f5f473-69
0.289
MAR-TRE-67513f76-99
0.287
MAR-TRE-3e4e6814-39
0.286
MAR-TRE-f6f5f473-63
0.286
MAR-TRE-67513f76-96
0.284
MAR-TRE-d0525fbf-82
0.281
MAR-TRE-7f7bb9f0-20
0.281
MAR-TRE-74c6519b-52
0.280
MAR-TRE-67513f76-47
0.278
MAK-UNK-90d0606b-10
0.276
MAR-TRE-74c6519b-12
0.275
MAR-TRE-9c797165-86
0.272
MAR-TRE-7f7bb9f0-63
0.271
MAR-TRE-f6f5f473-23
0.270
MAR-TRE-7f7bb9f0-45
0.269
MAR-TRE-f6f5f473-73
0.268
MAR-TRE-9c797165-33
0.268
MAR-TRE-04c86cea-38
0.267
MAR-TRE-67513f76-35
0.267
MAR-TRE-3e4e6814-60
0.266
MAR-TRE-d0525fbf-87
0.264
MAR-TRE-f6f5f473-81
0.264
MAR-TRE-d0525fbf-63
0.263
COM-UCB-1ef4e90e-5
0.263
KEN-ILL-f8fa3277-2
0.262
MAR-TRE-3e4e6814-70
0.261
MAR-TRE-4b834d9a-48
0.261
MAK-UNK-009ebe36-3
0.260
MAK-UNK-acefcb18-6
0.258
MAR-TRE-4b834d9a-100
0.255
AAR-POS-f650c5f2-4
0.253
AAR-POS-5507155c-2
0.253
LON-WEI-120e5cf5-17
0.253
LON-WEI-120e5cf5-1
0.253
MAR-TRE-3e4e6814-13
0.252
MAR-TRE-04c86cea-85
0.250
MAR-TRE-2fd8122f-48
0.248
MAR-TRE-9c797165-16
0.245
MAR-TRE-b77b7921-71
0.245
MAR-TRE-f6f5f473-39
0.245
MAR-TRE-f6f5f473-84
0.245
MAR-TRE-2fd8122f-44
0.242
JAG-UCB-a3ef7265-7
0.242
MAR-TRE-2fd8122f-81
0.242
MAR-TRE-2fd8122f-87
0.241
MAR-TRE-74c6519b-81
0.240
MAR-TRE-67513f76-20
0.240
MAR-TRE-d0525fbf-53
0.239