Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)cn1 |
MW: | 297.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-f6f5f473-9
0.757
MAR-TRE-04c86cea-79
0.718
MAR-TRE-67513f76-75
0.438
MAR-TRE-3e4e6814-23
0.419
MAR-TRE-74c6519b-24
0.389
MAR-TRE-9c797165-84
0.383
MAR-TRE-9c797165-44
0.377
MAR-TRE-f6f5f473-14
0.376
MAR-TRE-f6f5f473-90
0.367
MAR-TRE-b77b7921-72
0.366
MAR-TRE-9c797165-77
0.362
MAR-TRE-3e4e6814-96
0.360
MAR-TRE-4b834d9a-65
0.359
MAR-TRE-f6f5f473-8
0.352
MAR-TRE-f6f5f473-28
0.349
MAR-TRE-7f7bb9f0-86
0.349
MAR-TRE-67513f76-14
0.345
MAR-TRE-f6f5f473-77
0.344
MAR-TRE-9c797165-4
0.341
MAR-TRE-3e4e6814-58
0.333
MAR-TRE-04c86cea-62
0.323
MAR-TRE-7f7bb9f0-14
0.322
MAR-TRE-74c6519b-29
0.319
MAR-TRE-7f7bb9f0-67
0.319
MAR-TRE-67513f76-3
0.318
MAR-TRE-74c6519b-53
0.318
MAR-TRE-74c6519b-52
0.318
MAR-TRE-4b834d9a-89
0.318
MAR-TRE-7f7bb9f0-13
0.316
MAR-TRE-7f7bb9f0-21
0.315
MAR-TRE-74c6519b-50
0.315
MAR-TRE-9c797165-2
0.314
MAR-TRE-67513f76-31
0.312
MAR-TRE-b77b7921-63
0.311
MAR-TRE-7f7bb9f0-11
0.311
MAR-TRE-f6f5f473-97
0.310
AAR-POS-0daf6b7e-41
0.308
MAR-TRE-d0525fbf-50
0.307
MAR-TRE-f6f5f473-56
0.307
MAR-TRE-d0525fbf-82
0.304
MAR-TRE-7f7bb9f0-47
0.303
MAR-TRE-67513f76-44
0.302
MAR-TRE-74c6519b-48
0.302
MAR-TRE-04c86cea-44
0.302
MAR-TRE-9c797165-70
0.301
MAR-TRE-04c86cea-78
0.301
MAR-TRE-d0525fbf-30
0.299
MAR-TRE-67513f76-99
0.298
MAR-TRE-74c6519b-46
0.289
MAR-TRE-7f7bb9f0-99
0.289
MAR-TRE-3e4e6814-87
0.287
MAR-TRE-f6f5f473-91
0.287
MAR-TRE-4b834d9a-58
0.286
MAR-TRE-2fd8122f-12
0.284
MAR-TRE-f6f5f473-69
0.284
MAR-TRE-3e4e6814-39
0.281
UNK-CYC-68f84b31-2
0.280
MAR-TRE-74c6519b-51
0.280
MAR-TRE-67513f76-96
0.279
MAR-TRE-7f7bb9f0-45
0.278
MAR-TRE-f6f5f473-73
0.277
MAR-TRE-7f7bb9f0-20
0.276
MAR-TRE-67513f76-35
0.276
MAR-TRE-f6f5f473-81
0.273
MAR-TRE-67513f76-47
0.273
KEN-ILL-f8fa3277-2
0.272
MAK-UNK-90d0606b-10
0.271
JAG-SYN-9c2cd0bd-7
0.271
MAR-TRE-4b834d9a-48
0.270
MAR-TRE-9c797165-86
0.267
MAR-TRE-7f7bb9f0-63
0.266
MAR-TRE-f6f5f473-39
0.266
MAR-TRE-4b834d9a-100
0.264
MAR-TRE-a9136c7b-96
0.263
MAR-TRE-9c797165-33
0.263
MAR-TRE-04c86cea-38
0.263
BEN-DND-031a96cc-3
0.260
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-f6f5f473-80
0.258
MAR-TRE-799db12b-4
0.257
MAR-TRE-74c6519b-12
0.257
ANT-OPE-3d7cb11b-1
0.253
RAL-THA-05e671eb-13
0.250
ANT-DIA-045cfdc4-3
0.250
MAR-TRE-2fd8122f-44
0.250
MAR-TRE-04c86cea-46
0.247
LON-WEI-120e5cf5-1
0.247
AAR-POS-f650c5f2-4
0.247
AAR-POS-5507155c-2
0.247
LON-WEI-120e5cf5-17
0.247
MAR-TRE-04c86cea-48
0.247
MAR-TRE-d0525fbf-53
0.247
MAR-TRE-4b834d9a-56
0.247
MAR-TRE-9c797165-16
0.240
MAR-TRE-799db12b-92
0.240
MAR-TRE-d0525fbf-78
0.240
RUT-UNI-630c5802-16
0.239