Molecular Properties | |
SMILES: | COc1ccc(OC)c(NC(=O)CN2C(=O)CSc3ncccc32)c1 |
MW: | 359.09 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 80.76 |
cLogP: | 2.18 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3836475660 |
MolPort: | MolPort-007-676-909 |
MAR-TRE-4b834d9a-53
0.585
MAR-TRE-d0525fbf-69
0.576
MAR-TRE-4b834d9a-94
0.576
MAR-TRE-4b834d9a-70
0.565
MAR-TRE-4b834d9a-68
0.552
MAR-TRE-d0525fbf-52
0.475
MAR-TRE-67513f76-29
0.474
MAR-TRE-67513f76-19
0.469
MAR-TRE-74c6519b-93
0.465
MAR-TRE-9c797165-29
0.455
MAR-TRE-74c6519b-98
0.388
MAR-TRE-3e4e6814-84
0.386
MAR-TRE-3e4e6814-97
0.381
MAR-TRE-4b834d9a-66
0.377
MAR-TRE-d0525fbf-80
0.373
MAR-TRE-9c797165-50
0.368
MAR-TRE-9c797165-64
0.361
MAR-TRE-4b834d9a-83
0.345
MAR-TRE-a78003aa-9
0.333
LOR-NOR-30067bb9-9
0.330
MAR-TRE-2fd8122f-43
0.314
MAR-TRE-9c797165-25
0.309
MAR-TRE-3e4e6814-17
0.306
BAR-COM-0f94fc3d-48
0.303
MAR-TRE-b77b7921-47
0.303
MAR-TRE-67513f76-5
0.301
MAR-TRE-d0525fbf-23
0.300
MAR-TRE-7f7bb9f0-51
0.294
MAR-TRE-7f7bb9f0-73
0.294
MAR-TRE-74c6519b-77
0.293
MAR-TRE-9c797165-65
0.291
KEI-TRE-d5e2018a-37
0.288
MAR-TRE-2fd8122f-91
0.288
MAR-TRE-4b834d9a-45
0.288
MAR-TRE-67513f76-10
0.287
MAR-TRE-2fd8122f-9
0.287
KEI-TRE-d5e2018a-6
0.287
MAR-TRE-7f7bb9f0-84
0.287
MAR-TRE-d0525fbf-15
0.286
MAR-TRE-d0525fbf-71
0.286
MAR-TRE-3e4e6814-80
0.284
MAR-TRE-b77b7921-65
0.283
MAR-TRE-9c797165-53
0.282
MAR-TRE-b77b7921-42
0.280
MAR-TRE-d0525fbf-20
0.277
MAR-TRE-3e4e6814-98
0.276
MAR-TRE-7f7bb9f0-60
0.276
MAR-TRE-67513f76-50
0.273
KEI-TRE-d5e2018a-49
0.273
MAR-TRE-9c797165-54
0.270
MAR-TRE-4b834d9a-91
0.269
MAR-TRE-67513f76-34
0.269
MAR-TRE-b77b7921-60
0.267
MAR-TRE-74c6519b-45
0.265
MAR-TRE-74c6519b-62
0.264
MAR-TRE-74c6519b-88
0.264
MAR-TRE-d0525fbf-43
0.264
LON-WEI-5e7d1b3e-1
0.264
LON-WEI-4d77710c-1
0.264
MAR-TRE-04c86cea-47
0.263
MAR-TRE-74c6519b-87
0.262
MAR-TRE-d0525fbf-22
0.261
MAR-TRE-b77b7921-48
0.261
MAK-UNK-7a704a63-24
0.260
TAT-ENA-80bfd3e5-36
0.260
MAT-POS-fa06b69f-5
0.260
MAR-TRE-4b834d9a-3
0.259
MAR-TRE-d0525fbf-70
0.258
MAR-TRE-74c6519b-72
0.258
MAR-TRE-2fd8122f-54
0.257
KEI-TRE-d5e2018a-67
0.257
MAR-TRE-d0525fbf-83
0.257
MAR-TRE-b77b7921-82
0.256
BAR-COM-0f94fc3d-54
0.255
MAR-TRE-d0525fbf-24
0.254
MAR-TRE-d0525fbf-38
0.254
MAR-TRE-b77b7921-68
0.254
MAR-TRE-7f7bb9f0-1
0.254
MAR-TRE-f5c2d31c-94
0.252
MAR-TRE-3e4e6814-6
0.252
MAR-TRE-7f7bb9f0-80
0.252
MAR-TRE-2fd8122f-75
0.252
MAR-TRE-d0525fbf-3
0.252
MAR-TRE-d0525fbf-25
0.252
MAR-TRE-d0525fbf-89
0.252
MAR-TRE-b77b7921-57
0.252
MAR-TRE-04c86cea-58
0.252
MAR-TRE-04c86cea-67
0.252
MAR-TRE-d0525fbf-51
0.252
MAR-TRE-d0525fbf-6
0.250
MAR-TRE-3e4e6814-2
0.250
LOR-NOR-30067bb9-17
0.250
MAR-TRE-d0525fbf-31
0.250
MAR-TRE-f6f5f473-60
0.248
MAR-TRE-d0525fbf-8
0.248
MAR-TRE-04c86cea-33
0.248
MAR-TRE-3e4e6814-32
0.248
MAR-TRE-d0525fbf-28
0.248
MAR-TRE-4b834d9a-98
0.248
MAR-TRE-4b834d9a-39
0.248