Molecular Properties | |
SMILES: | COc1ccc(Br)cc1CNC(=O)CN1C(=O)CSc2ncccc21 |
MW: | 421.01 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.53 |
cLogP: | 2.61 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4313097090 |
MolPort: | MolPort-007-672-309 |
Filter9_metal
aryl bromide
MAR-TRE-4b834d9a-70
0.693
MAR-TRE-d0525fbf-69
0.667
MAR-TRE-4b834d9a-94
0.613
MAR-TRE-4b834d9a-68
0.588
MAR-TRE-7f7bb9f0-88
0.585
MAR-TRE-d0525fbf-52
0.557
MAR-TRE-67513f76-29
0.495
MAR-TRE-67513f76-19
0.490
MAR-TRE-74c6519b-93
0.485
MAR-TRE-9c797165-29
0.475
MAR-TRE-3e4e6814-97
0.442
MAR-TRE-74c6519b-98
0.410
MAR-TRE-3e4e6814-84
0.408
MAR-TRE-4b834d9a-66
0.398
MAR-TRE-d0525fbf-80
0.393
MAR-TRE-9c797165-50
0.376
MAR-TRE-9c797165-25
0.367
MAR-TRE-7f7bb9f0-73
0.359
MAR-TRE-9c797165-64
0.357
MAR-TRE-74c6519b-77
0.325
MAR-TRE-4b834d9a-8
0.324
MAR-TRE-04c86cea-70
0.322
MAR-TRE-d0525fbf-23
0.321
MAR-TRE-d0525fbf-43
0.321
MAR-TRE-d0525fbf-38
0.319
MAR-TRE-74c6519b-45
0.319
MAR-TRE-d0525fbf-71
0.317
MAR-TRE-d0525fbf-3
0.316
MAR-TRE-b77b7921-48
0.314
MAR-TRE-04c86cea-25
0.314
MAR-TRE-d0525fbf-70
0.311
MAR-TRE-d0525fbf-28
0.304
MAR-TRE-b77b7921-19
0.303
MAR-TRE-04c86cea-12
0.303
MAR-TRE-d0525fbf-2
0.298
MAR-TRE-7f7bb9f0-1
0.295
MAR-TRE-3e4e6814-17
0.293
MAR-TRE-4b834d9a-99
0.291
MAR-TRE-f6f5f473-12
0.291
MAR-TRE-4b834d9a-85
0.289
MAR-TRE-04c86cea-45
0.289
MAR-TRE-4b834d9a-33
0.288
MAR-TRE-67513f76-10
0.286
MAR-TRE-d0525fbf-12
0.286
MAR-TRE-d0525fbf-44
0.285
MAR-TRE-4b834d9a-54
0.284
MAR-TRE-04c86cea-58
0.283
MAR-TRE-67513f76-50
0.283
MAR-TRE-d0525fbf-79
0.282
MAR-TRE-d0525fbf-6
0.281
MAR-TRE-3e4e6814-2
0.281
MAR-TRE-4b834d9a-3
0.281
MAR-TRE-9c797165-54
0.281
MAR-TRE-f6f5f473-20
0.281
MAR-TRE-d0525fbf-8
0.279
MAR-TRE-04c86cea-33
0.279
MAR-TRE-d0525fbf-39
0.277
JUL-TUD-06b2044f-129
0.277
MAR-TRE-d0525fbf-68
0.276
MAR-TRE-4b834d9a-23
0.276
MAR-TRE-2fd8122f-43
0.275
MAR-TRE-7f7bb9f0-3
0.275
MAR-TRE-7f7bb9f0-70
0.275
MAR-TRE-d0525fbf-24
0.275
MAR-TRE-4b834d9a-83
0.275
MAR-TRE-f6f5f473-26
0.275
MAR-TRE-b77b7921-20
0.273
MAR-TRE-04c86cea-74
0.273
MAR-TRE-04c86cea-20
0.272
MAR-TRE-d0525fbf-21
0.271
MAR-TRE-3e4e6814-21
0.271
MAR-TRE-3e4e6814-4
0.270
MAR-TRE-d0525fbf-22
0.270
MAR-TRE-4b834d9a-39
0.270
MAR-TRE-b77b7921-47
0.270
MAR-TRE-9c797165-53
0.270
MAR-TRE-4b834d9a-15
0.269
MAR-TRE-b77b7921-27
0.269
MAR-TRE-04c86cea-56
0.269
MAR-TRE-7f7bb9f0-22
0.269
MAR-TRE-d0525fbf-9
0.269
MAR-TRE-d0525fbf-37
0.269
MAR-TRE-7f7bb9f0-51
0.269
MAR-TRE-74c6519b-72
0.268
MAR-TRE-74c6519b-39
0.267
MAR-TRE-4b834d9a-36
0.267
MAR-TRE-3e4e6814-19
0.264
MAR-TRE-b77b7921-68
0.264
MAR-TRE-67513f76-5
0.264
JUL-TUD-06b2044f-35
0.263
MAR-TRE-f6f5f473-68
0.263
MAR-TRE-4b834d9a-9
0.262
MAR-TRE-b77b7921-2
0.261
MAR-TRE-74c6519b-16
0.260
MAR-TRE-04c86cea-9
0.260
MAR-TRE-4b834d9a-55
0.259
MAR-TRE-4b834d9a-95
0.259
MAR-TRE-4b834d9a-98
0.259
MAR-TRE-04c86cea-69
0.259
MAR-TRE-74c6519b-86
0.258